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

C16H20N4O3 — CID 118729809

IUPAC(1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESNc1ncc(-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C16H20N4O3/c17-16-18-7-11(9-4-2-1-3-5-9)15(20-16)19-12-6-10(8-21)13(22)14(12)23/h1-5,7,10,12-14,21-23H,6,8H2,(H3,17,18,19,20)/t10-,12-,13-,14+/m1/s1
InChIKeyGYHPDRMINATQTP-ZRJCITRHSA-N
MW316.36 g/mol
LogP0.24
Rot. Bonds4

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

(1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 118729809) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID118729809
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESNc1ncc(-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C16H20N4O3/c17-16-18-7-11(9-4-2-1-3-5-9)15(20-16)19-12-6-10(8-21)13(22)14(12)23/h1-5,7,10,12-14,21-23H,6,8H2,(H3,17,18,19,20)/t10-,12-,13-,14+/m1/s1
InChIKeyGYHPDRMINATQTP-ZRJCITRHSA-N
XLogP0.24
TPSA124.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

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Related Compounds

(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-quinolin-2-ylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 118453722
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(2-phenylethynyl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175301
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-(2-pyridyl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175302
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[(E)-2-(3-fluorophenyl)ethenyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175322
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[(E)-2-(2-chlorophenyl)ethenyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175400
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175404
3-[(E)-2-[2-amino-4-chloro-6-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]ethenyl]benzonitrile
CID 46175405
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[(E)-2-pyridin-3-ylethenyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175489
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-(3-pyridyl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175838
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-(4-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 57401075
(1R,2S,3R,5R)-3-[(2-amino-5-quinolin-2-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 73670346
(1R,2S,3R,5R)-3-[(2-amino-5-pyridin-2-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 117885639

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 118729809) is (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Nc1ncc(-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is GYHPDRMINATQTP-ZRJCITRHSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-16-18-7-11(9-4-2-1-3-5-9)15(20-16)19-12-6-10(8-21)13(22)14(12)23/h1-5,7,10,12-14,21-23H,6,8H2,(H3,17,18,19,20)/t10-,12-,13-,14+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 316.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(2-amino-5-phenylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 118729809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).