[3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol

C12H14N4O — CID 14999832

IUPAC[3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol
SMILESNc1ncc(Cc2cccc(CO)c2)c(N)n1
InChIInChI=1S/C12H14N4O/c13-11-10(6-15-12(14)16-11)5-8-2-1-3-9(4-8)7-17/h1-4,6,17H,5,7H2,(H4,13,14,15,16)
InChIKeyLFEJRVMXZUZEDH-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.72
Rot. Bonds3

About [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol

[3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol (PubChem CID 14999832) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol
PubChem CID14999832
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name[3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol
SMILESNc1ncc(Cc2cccc(CO)c2)c(N)n1
InChIInChI=1S/C12H14N4O/c13-11-10(6-15-12(14)16-11)5-8-2-1-3-9(4-8)7-17/h1-4,6,17H,5,7H2,(H4,13,14,15,16)
InChIKeyLFEJRVMXZUZEDH-UHFFFAOYSA-N
XLogP0.72
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Bmy-14802
CID 108046
Fenyripol Hydrochloride
CID 17118
2-{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}ethanol
CID 11160875
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
(R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 6604868
Phenol, 4-[(2,4-diamino-5-pyrimidinyl)methyl]-
CID 13112727
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol
CID 13112728
2,4-Diamino-5-(3,5-diethyl-4-hydroxybenzyl)pyrimidine
CID 13112734
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol
CID 13112736
4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-phenol
CID 13112738
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol
CID 13112740
2,6-Ditert-butyl-4-[(2,4-diaminopyrimidin-5-yl)methyl]phenol
CID 13739857

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol?
The IUPAC name of [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol (CID 14999832) is [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol?
The canonical SMILES for [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol is Nc1ncc(Cc2cccc(CO)c2)c(N)n1.
What is the InChIKey of [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol?
The InChIKey is LFEJRVMXZUZEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11-10(6-15-12(14)16-11)5-8-2-1-3-9(4-8)7-17/h1-4,6,17H,5,7H2,(H4,13,14,15,16).
What are the key properties of [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol?
[3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol has a molecular weight of 230.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]methanol is sourced from PubChem (CID 14999832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).