(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

C24H31N5O6 — CID 70643980

IUPAC(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
SMILESCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(OC)n1
InChIInChI=1S/C24H31N5O6/c1-11-18(16-7-13-8-17(33-2)28-23(34-3)21(13)35-16)22(29-24(26-11)25-9-12-4-5-12)27-15-6-14(10-30)19(31)20(15)32/h7-8,12,14-15,19-20,30-32H,4-6,9-10H2,1-3H3,(H2,25,26,27,29)/t14-,15-,19-,20+/m1/s1
InChIKeyRWNBFKOETZXVPU-IONDEXAJSA-N
MW485.54 g/mol
LogP1.95
Rot. Bonds9

About (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

(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 (PubChem CID 70643980) has the molecular formula C24H31N5O6 and a molecular weight of 485.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID70643980
Molecular FormulaC24H31N5O6
Molecular Weight485.54 g/mol
Exact Mass485.23
IUPAC Name(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
SMILESCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(OC)n1
InChIInChI=1S/C24H31N5O6/c1-11-18(16-7-13-8-17(33-2)28-23(34-3)21(13)35-16)22(29-24(26-11)25-9-12-4-5-12)27-15-6-14(10-30)19(31)20(15)32/h7-8,12,14-15,19-20,30-32H,4-6,9-10H2,1-3H3,(H2,25,26,27,29)/t14-,15-,19-,20+/m1/s1
InChIKeyRWNBFKOETZXVPU-IONDEXAJSA-N
XLogP1.95
TPSA155.02 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 51.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(OC)n1.
What is the InChIKey of (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?
The InChIKey is RWNBFKOETZXVPU-IONDEXAJSA-N. The full InChI is InChI=1S/C24H31N5O6/c1-11-18(16-7-13-8-17(33-2)28-23(34-3)21(13)35-16)22(29-24(26-11)25-9-12-4-5-12)27-15-6-14(10-30)19(31)20(15)32/h7-8,12,14-15,19-20,30-32H,4-6,9-10H2,1-3H3,(H2,25,26,27,29)/t14-,15-,19-,20+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 485.54 g/mol, XLogP of 1.95, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 70643980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).