(1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C18H22N6O3 — CID 118729810

IUPAC(1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCn1c(-c2cnc(N)nc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc2ccccc21
InChIInChI=1S/C18H22N6O3/c1-24-13-5-3-2-4-11(13)22-17(24)10-7-20-18(19)23-16(10)21-12-6-9(8-25)14(26)15(12)27/h2-5,7,9,12,14-15,25-27H,6,8H2,1H3,(H3,19,20,21,23)/t9-,12-,14-,15+/m1/s1
InChIKeySXHSKGFMSMGYDS-VHIFSBLJSA-N
MW370.41 g/mol
LogP0.13
Rot. Bonds4

About (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 118729810) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID118729810
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name(1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCn1c(-c2cnc(N)nc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc2ccccc21
InChIInChI=1S/C18H22N6O3/c1-24-13-5-3-2-4-11(13)22-17(24)10-7-20-18(19)23-16(10)21-12-6-9(8-25)14(26)15(12)27/h2-5,7,9,12,14-15,25-27H,6,8H2,1H3,(H3,19,20,21,23)/t9-,12-,14-,15+/m1/s1
InChIKeySXHSKGFMSMGYDS-VHIFSBLJSA-N
XLogP0.13
TPSA142.34 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-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-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 118729810) is (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Cn1c(-c2cnc(N)nc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc2ccccc21.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is SXHSKGFMSMGYDS-VHIFSBLJSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-24-13-5-3-2-4-11(13)22-17(24)10-7-20-18(19)23-16(10)21-12-6-9(8-25)14(26)15(12)27/h2-5,7,9,12,14-15,25-27H,6,8H2,1H3,(H3,19,20,21,23)/t9-,12-,14-,15+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 370.41 g/mol, XLogP of 0.13, 4 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-[[2-amino-5-(1-methylbenzimidazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 118729810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).