(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C28H41N5O5 — CID 70919412

IUPAC(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1nc(OCC(C)(C)C)cc2c1OC(c1c(C)nc(NCC3CC3)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2
InChIInChI=1S/C28H41N5O5/c1-14-22(20-9-17-10-21(37-13-28(3,4)5)30-15(2)25(17)38-20)26(33-27(31-14)29-11-16-6-7-16)32-19-8-18(12-34)23(35)24(19)36/h10,16,18-20,23-24,34-36H,6-9,11-13H2,1-5H3,(H2,29,31,32,33)/t18-,19-,20?,23-,24+/m1/s1
InChIKeySTUAENQEZBAFFU-QDDRUMKQSA-N
MW527.67 g/mol
LogP2.93
Rot. Bonds9

About (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[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-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 70919412) has the molecular formula C28H41N5O5 and a molecular weight of 527.67 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[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-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID70919412
Molecular FormulaC28H41N5O5
Molecular Weight527.67 g/mol
Exact Mass527.31
IUPAC Name(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1nc(OCC(C)(C)C)cc2c1OC(c1c(C)nc(NCC3CC3)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2
InChIInChI=1S/C28H41N5O5/c1-14-22(20-9-17-10-21(37-13-28(3,4)5)30-15(2)25(17)38-20)26(33-27(31-14)29-11-16-6-7-16)32-19-8-18(12-34)23(35)24(19)36/h10,16,18-20,23-24,34-36H,6-9,11-13H2,1-5H3,(H2,29,31,32,33)/t18-,19-,20?,23-,24+/m1/s1
InChIKeySTUAENQEZBAFFU-QDDRUMKQSA-N
XLogP2.93
TPSA141.88 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 52.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[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-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 70919412) is (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[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-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[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-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Cc1nc(OCC(C)(C)C)cc2c1OC(c1c(C)nc(NCC3CC3)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C2.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is STUAENQEZBAFFU-QDDRUMKQSA-N. The full InChI is InChI=1S/C28H41N5O5/c1-14-22(20-9-17-10-21(37-13-28(3,4)5)30-15(2)25(17)38-20)26(33-27(31-14)29-11-16-6-7-16)32-19-8-18(12-34)23(35)24(19)36/h10,16,18-20,23-24,34-36H,6-9,11-13H2,1-5H3,(H2,29,31,32,33)/t18-,19-,20?,23-,24+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[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-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 527.67 g/mol, XLogP of 2.93, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-[5-(2,2-dimethylpropoxy)-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 70919412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).