4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one

C26H33N7O4S — CID 77446282

IUPAC4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one
SMILESCc1nc(NCC2CC2)nc(NC2CC(CN3CCOCC3=O)C(O)C2O)c1-c1nc2c(C)nccc2s1
InChIInChI=1S/C26H33N7O4S/c1-13-20(25-31-21-14(2)27-6-5-18(21)38-25)24(32-26(29-13)28-10-15-3-4-15)30-17-9-16(22(35)23(17)36)11-33-7-8-37-12-19(33)34/h5-6,15-17,22-23,35-36H,3-4,7-12H2,1-2H3,(H2,28,29,30,32)
InChIKeyDHRKQIGTVPZWSE-UHFFFAOYSA-N
MW539.66 g/mol
LogP1.97
Rot. Bonds8

About 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one

4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one (PubChem CID 77446282) has the molecular formula C26H33N7O4S and a molecular weight of 539.66 g/mol. Its IUPAC name is 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one
PubChem CID77446282
Molecular FormulaC26H33N7O4S
Molecular Weight539.66 g/mol
Exact Mass539.23
IUPAC Name4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one
SMILESCc1nc(NCC2CC2)nc(NC2CC(CN3CCOCC3=O)C(O)C2O)c1-c1nc2c(C)nccc2s1
InChIInChI=1S/C26H33N7O4S/c1-13-20(25-31-21-14(2)27-6-5-18(21)38-25)24(32-26(29-13)28-10-15-3-4-15)30-17-9-16(22(35)23(17)36)11-33-7-8-37-12-19(33)34/h5-6,15-17,22-23,35-36H,3-4,7-12H2,1-2H3,(H2,28,29,30,32)
InChIKeyDHRKQIGTVPZWSE-UHFFFAOYSA-N
XLogP1.97
TPSA145.62 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one with MolForge

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Related Compounds

(1R,2S,3R,5S)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(3-hydroxypentan-3-yl)cyclopentane-1,2-diol
CID 53373873
(1R,2S,3R,5S)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxy-1,3-dimethoxypropan-2-yl)cyclopentane-1,2-diol
CID 53374206
3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 123933828
propan-2-yl (1S,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentane-1-carboxylate
CID 90366085
1-cyclopentyl-3-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-one
CID 159200796
1-[(1R,2R,3S,4R)-4-[[2-(cyclobutylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-4,4-dimethylpentan-2-one
CID 147178943
(1R,2S,5S)-3-[[2-(2-cyclopropylethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxypropan-2-yl)cyclopentane-1,2-diol
CID 122532240
(1R,2S,3R,5R)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(spiro[2.3]hexan-5-ylmethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 53374492
(1R,2S,3R,5R)-3-[[2-[(2,2-dimethylcyclopropyl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 90366251
2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium
CID 158719984
(1R,2S,5R)-3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxyethyl)cyclopentane-1,2-diol
CID 118400230
(1R,2S,5S)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,2-dimethylcyclopropyl)methylamino]-6-methylpyrimidin-4-yl]amino]-5-(methylsulfonylmethyl)cyclopentane-1,2-diol
CID 90369055

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one?
The IUPAC name of 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one (CID 77446282) is 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one is Cc1nc(NCC2CC2)nc(NC2CC(CN3CCOCC3=O)C(O)C2O)c1-c1nc2c(C)nccc2s1.
What is the InChIKey of 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one?
The InChIKey is DHRKQIGTVPZWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O4S/c1-13-20(25-31-21-14(2)27-6-5-18(21)38-25)24(32-26(29-13)28-10-15-3-4-15)30-17-9-16(22(35)23(17)36)11-33-7-8-37-12-19(33)34/h5-6,15-17,22-23,35-36H,3-4,7-12H2,1-2H3,(H2,28,29,30,32).
What are the key properties of 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one?
4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one has a molecular weight of 539.66 g/mol, XLogP of 1.97, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]morpholin-3-one is sourced from PubChem (CID 77446282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).