(1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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

C24H35N7O3S — CID 71453362

IUPAC(1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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
SMILESCc1nc(NCCN(C)C)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1
InChIInChI=1S/C24H35N7O3S/c1-12-17(22-29-18-13(2)25-8-7-16(18)35-22)21(30-23(27-12)26-9-10-31(5)6)28-15-11-14(24(3,4)34)19(32)20(15)33/h7-8,14-15,19-20,32-34H,9-11H2,1-6H3,(H2,26,27,28,30)/t14-,15+,19+,20-/m0/s1
InChIKeyUAJNXFZQIUBTOV-BWMZKYQQSA-N
MW501.66 g/mol
LogP2.03
Rot. Bonds8

About (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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

(1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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 (PubChem CID 71453362) has the molecular formula C24H35N7O3S and a molecular weight of 501.66 g/mol. Its IUPAC name is (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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.

Molecular Properties

Compound Name(1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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
PubChem CID71453362
Molecular FormulaC24H35N7O3S
Molecular Weight501.66 g/mol
Exact Mass501.25
IUPAC Name(1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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
SMILESCc1nc(NCCN(C)C)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1
InChIInChI=1S/C24H35N7O3S/c1-12-17(22-29-18-13(2)25-8-7-16(18)35-22)21(30-23(27-12)26-9-10-31(5)6)28-15-11-14(24(3,4)34)19(32)20(15)33/h7-8,14-15,19-20,32-34H,9-11H2,1-6H3,(H2,26,27,28,30)/t14-,15+,19+,20-/m0/s1
InChIKeyUAJNXFZQIUBTOV-BWMZKYQQSA-N
XLogP2.03
TPSA139.55 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.66
LogP ≤ 52.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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?
The IUPAC name of (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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 71453362) is (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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.
What is the SMILES notation for (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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?
The canonical SMILES for (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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 is Cc1nc(NCCN(C)C)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1.
What is the InChIKey of (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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?
The InChIKey is UAJNXFZQIUBTOV-BWMZKYQQSA-N. The full InChI is InChI=1S/C24H35N7O3S/c1-12-17(22-29-18-13(2)25-8-7-16(18)35-22)21(30-23(27-12)26-9-10-31(5)6)28-15-11-14(24(3,4)34)19(32)20(15)33/h7-8,14-15,19-20,32-34H,9-11H2,1-6H3,(H2,26,27,28,30)/t14-,15+,19+,20-/m0/s1.
What are the key properties of (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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?
(1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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 has a molecular weight of 501.66 g/mol, XLogP of 2.03, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-3-[[2-[2-(dimethylamino)ethylamino]-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 is sourced from PubChem (CID 71453362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).