ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one

C27H34N6O3 — CID 143945558

IUPACethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one
SMILESCC.Cc1nc(NCc2ccccn2)nc(NC2CCC(CO)C2)c1-c1cc2cc(=O)[nH]c(C)c2o1
InChIInChI=1S/C25H28N6O3.C2H6/c1-14-22(20-10-17-11-21(33)28-15(2)23(17)34-20)24(30-18-7-6-16(9-18)13-32)31-25(29-14)27-12-19-5-3-4-8-26-19;1-2/h3-5,8,10-11,16,18,32H,6-7,9,12-13H2,1-2H3,(H,28,33)(H2,27,29,30,31);1-2H3
InChIKeyUJASRKQEOGGUKJ-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.80
Rot. Bonds7

About ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one

ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one (PubChem CID 143945558) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one.

Molecular Properties

Compound Nameethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one
PubChem CID143945558
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Nameethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one
SMILESCC.Cc1nc(NCc2ccccn2)nc(NC2CCC(CO)C2)c1-c1cc2cc(=O)[nH]c(C)c2o1
InChIInChI=1S/C25H28N6O3.C2H6/c1-14-22(20-10-17-11-21(33)28-15(2)23(17)34-20)24(30-18-7-6-16(9-18)13-32)31-25(29-14)27-12-19-5-3-4-8-26-19;1-2/h3-5,8,10-11,16,18,32H,6-7,9,12-13H2,1-2H3,(H,28,33)(H2,27,29,30,31);1-2H3
InChIKeyUJASRKQEOGGUKJ-UHFFFAOYSA-N
XLogP4.80
TPSA128.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one with MolForge

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Related Compounds

3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 71738479
[3-[[2-[(3-chloro-4-methoxyphenyl)methylamino]-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143945521
[3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143945889
tert-butyl formate;5,6-dimethyl-4-N-piperidin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 174740834
5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 174850321
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643961
N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide
CID 123894243
[3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 91228631
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-2-(1,3-difluoropropan-2-ylamino)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643853
1-[[5-(1,3-benzothiazol-2-yl)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methylpyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 143946734
[3-[(2-amino-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 155582673
(1R,2S,3R,5R)-3-[[2-anilino-5-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 123387702

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one?
The IUPAC name of ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one (CID 143945558) is ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one.
What is the SMILES notation for ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one?
The canonical SMILES for ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one is CC.Cc1nc(NCc2ccccn2)nc(NC2CCC(CO)C2)c1-c1cc2cc(=O)[nH]c(C)c2o1.
What is the InChIKey of ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one?
The InChIKey is UJASRKQEOGGUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3.C2H6/c1-14-22(20-10-17-11-21(33)28-15(2)23(17)34-20)24(30-18-7-6-16(9-18)13-32)31-25(29-14)27-12-19-5-3-4-8-26-19;1-2/h3-5,8,10-11,16,18,32H,6-7,9,12-13H2,1-2H3,(H,28,33)(H2,27,29,30,31);1-2H3.
What are the key properties of ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one?
ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one has a molecular weight of 490.61 g/mol, XLogP of 4.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[[3-(hydroxymethyl)cyclopentyl]amino]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-7-methyl-6H-furo[2,3-c]pyridin-5-one is sourced from PubChem (CID 143945558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).