2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol

C11H12N4O — CID 10703929

IUPAC2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol
SMILESNc1ncc(Cc2ccccc2O)c(N)n1
InChIInChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-3-1-2-4-9(7)16/h1-4,6,16H,5H2,(H4,12,13,14,15)
InChIKeyLIHIODXVKJKLCB-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.94
Rot. Bonds2

About 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol

2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol (PubChem CID 10703929) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol
PubChem CID10703929
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol
SMILESNc1ncc(Cc2ccccc2O)c(N)n1
InChIInChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-3-1-2-4-9(7)16/h1-4,6,16H,5H2,(H4,12,13,14,15)
InChIKeyLIHIODXVKJKLCB-UHFFFAOYSA-N
XLogP0.94
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
4-[5-(4-Hydroxyphenyl)pyrimidin-2-yl]phenol
CID 621973
5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
2,4-NH2Pyrimidin,5(35-ME-4-meo)benzyl
CID 12655201
2,4-Diamino-5-[4-trifluoromethoxybenzyl]pyrimidine
CID 625108
2-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4-diamine
CID 14570150
4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 764635
2,4-Diamino-5-[3-trifluoromethyl-4-methoxybenzyl]pyrimidine
CID 626825

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol?
The IUPAC name of 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol (CID 10703929) is 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol.
What is the SMILES notation for 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol?
The canonical SMILES for 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol is Nc1ncc(Cc2ccccc2O)c(N)n1.
What is the InChIKey of 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol?
The InChIKey is LIHIODXVKJKLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-3-1-2-4-9(7)16/h1-4,6,16H,5H2,(H4,12,13,14,15).
What are the key properties of 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol?
2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol has a molecular weight of 216.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diaminopyrimidin-5-yl)methyl]phenol is sourced from PubChem (CID 10703929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).