(1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride

C24H34ClN5O4 — CID 70684270

IUPAC(1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
SMILESCCc1cc2cc(-c3c(C)nc(NCC(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2cn1.Cl
InChIInChI=1S/C24H33N5O4.ClH/c1-5-16-6-14-8-18(33-19(14)10-25-16)20-13(4)27-24(26-9-12(2)3)29-23(20)28-17-7-15(11-30)21(31)22(17)32;/h6,8,10,12,15,17,21-22,30-32H,5,7,9,11H2,1-4H3,(H2,26,27,28,29);1H/t15-,17-,21-,22+;/m1./s1
InChIKeyDLKRCMRLCQTOMB-QMUPLBFXSA-N
MW492.02 g/mol
LogP3.16
Rot. Bonds8

About (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride

(1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride (PubChem CID 70684270) has the molecular formula C24H34ClN5O4 and a molecular weight of 492.02 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
PubChem CID70684270
Molecular FormulaC24H34ClN5O4
Molecular Weight492.02 g/mol
Exact Mass491.23
IUPAC Name(1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
SMILESCCc1cc2cc(-c3c(C)nc(NCC(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2cn1.Cl
InChIInChI=1S/C24H33N5O4.ClH/c1-5-16-6-14-8-18(33-19(14)10-25-16)20-13(4)27-24(26-9-12(2)3)29-23(20)28-17-7-15(11-30)21(31)22(17)32;/h6,8,10,12,15,17,21-22,30-32H,5,7,9,11H2,1-4H3,(H2,26,27,28,29);1H/t15-,17-,21-,22+;/m1./s1
InChIKeyDLKRCMRLCQTOMB-QMUPLBFXSA-N
XLogP3.16
TPSA136.56 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?
The IUPAC name of (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride (CID 70684270) is (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride.
What is the SMILES notation for (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?
The canonical SMILES for (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride is CCc1cc2cc(-c3c(C)nc(NCC(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2cn1.Cl.
What is the InChIKey of (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?
The InChIKey is DLKRCMRLCQTOMB-QMUPLBFXSA-N. The full InChI is InChI=1S/C24H33N5O4.ClH/c1-5-16-6-14-8-18(33-19(14)10-25-16)20-13(4)27-24(26-9-12(2)3)29-23(20)28-17-7-15(11-30)21(31)22(17)32;/h6,8,10,12,15,17,21-22,30-32H,5,7,9,11H2,1-4H3,(H2,26,27,28,29);1H/t15-,17-,21-,22+;/m1./s1.
What are the key properties of (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?
(1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride has a molecular weight of 492.02 g/mol, XLogP of 3.16, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 70684270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).