[3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol

C23H31N5O3 — CID 143946116

IUPAC[3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCCOCc1cc2cc(-c3c(C)nc(NC)nc3NC3CCC(CO)C3)oc2c(C)n1
InChIInChI=1S/C23H31N5O3/c1-5-30-12-18-9-16-10-19(31-21(16)14(3)25-18)20-13(2)26-23(24-4)28-22(20)27-17-7-6-15(8-17)11-29/h9-10,15,17,29H,5-8,11-12H2,1-4H3,(H2,24,26,27,28)
InChIKeyBQNKEPUAMVKFDX-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.05
Rot. Bonds8

About [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol

[3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 143946116) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID143946116
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name[3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCCOCc1cc2cc(-c3c(C)nc(NC)nc3NC3CCC(CO)C3)oc2c(C)n1
InChIInChI=1S/C23H31N5O3/c1-5-30-12-18-9-16-10-19(31-21(16)14(3)25-18)20-13(2)26-23(24-4)28-22(20)27-17-7-6-15(8-17)11-29/h9-10,15,17,29H,5-8,11-12H2,1-4H3,(H2,24,26,27,28)
InChIKeyBQNKEPUAMVKFDX-UHFFFAOYSA-N
XLogP4.05
TPSA105.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643630
[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
(1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 70644122
[(1R,3S)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70644097
[3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143945889
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
[(1R,3S)-3-[[6-chloro-2-(cyclopropylmethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88872348
(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
CID 70684259
[(1R,3S)-3-[[6-chloro-2-(methylamino)-5-(2-methyl-6-methylsulfanyl-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88566321
(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5,7-dimethoxyfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 70643980
(1R,2S,3R,5R)-3-[[2-[(2,6-difluorophenyl)methylamino]-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 90365955
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

Frequently Asked Questions

What is the IUPAC name of [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 143946116) is [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol is CCOCc1cc2cc(-c3c(C)nc(NC)nc3NC3CCC(CO)C3)oc2c(C)n1.
What is the InChIKey of [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is BQNKEPUAMVKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-5-30-12-18-9-16-10-19(31-21(16)14(3)25-18)20-13(2)26-23(24-4)28-22(20)27-17-7-6-15(8-17)11-29/h9-10,15,17,29H,5-8,11-12H2,1-4H3,(H2,24,26,27,28).
What are the key properties of [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 425.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-[5-(ethoxymethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 143946116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).