(2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol

C16H18N2O3 — CID 10565129

IUPAC(2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol
SMILESCc1nc(-c2ccccc2)cc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1
InChIInChI=1S/C16H18N2O3/c1-10-17-12(11-5-3-2-4-6-11)7-13(18-10)15-8-14(20)16(9-19)21-15/h2-7,14-16,19-20H,8-9H2,1H3/t14-,15-,16+/m0/s1
InChIKeyJCXJPHOCKVXHPN-HRCADAONSA-N
MW286.33 g/mol
LogP1.64
Rot. Bonds3

About (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol

(2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol (PubChem CID 10565129) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol
PubChem CID10565129
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol
SMILESCc1nc(-c2ccccc2)cc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1
InChIInChI=1S/C16H18N2O3/c1-10-17-12(11-5-3-2-4-6-11)7-13(18-10)15-8-14(20)16(9-19)21-15/h2-7,14-16,19-20H,8-9H2,1H3/t14-,15-,16+/m0/s1
InChIKeyJCXJPHOCKVXHPN-HRCADAONSA-N
XLogP1.64
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-1-(2,6-diamino-5-phenyl-pyrimidin-4-yl)propane-1,2,3-triol
CID 46905982
(2R,3S,4S,5R,6R)-4-[[2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]methoxy]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 155510726
(2R,3S,4S,5R,6R)-4-[[2-amino-6-(3-phenylphenyl)pyrimidin-4-yl]methoxy]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 155512351
2-Cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-3-yl)-6-phenylpyrimidine
CID 155512749
(2R,3S,4S,5R,6R)-4-[[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]methoxy]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 155515859
4-Cyclopropyl-6-(1,4-dioxaspiro[4.5]decan-3-yl)-2-phenylpyrimidine
CID 155519252
(2R,3S,4S,5R,6R)-4-[[2-amino-6-(3-methylphenyl)pyrimidin-4-yl]methoxy]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 155520645
1-(6-Cyclopropyl-2-phenylpyrimidin-4-yl)ethane-1,2-diol
CID 155521197
(2R,3S,4S,5R,6R)-4-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]methoxy]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 155523170
(2R,3S,4S,5R,6R)-4-[[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]methoxy]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 155523559
(2R,3S,4S,5R,6R)-4-[[2-amino-6-(4-phenylphenyl)pyrimidin-4-yl]methoxy]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 155538081
4-(1,4-Dioxaspiro[4.5]decan-3-yl)-2-methyl-6-phenylpyrimidine
CID 155542242

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol (CID 10565129) is (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol is Cc1nc(-c2ccccc2)cc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1.
What is the InChIKey of (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol?
The InChIKey is JCXJPHOCKVXHPN-HRCADAONSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-17-12(11-5-3-2-4-6-11)7-13(18-10)15-8-14(20)16(9-19)21-15/h2-7,14-16,19-20H,8-9H2,1H3/t14-,15-,16+/m0/s1.
What are the key properties of (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol?
(2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol has a molecular weight of 286.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-(hydroxymethyl)-5-(2-methyl-6-phenylpyrimidin-4-yl)oxolan-3-ol is sourced from PubChem (CID 10565129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).