[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride

C12H15ClN4O — CID 54604691

IUPAC[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride
SMILESCc1cc(Nc2cccc(CO)c2)nc(N)n1.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-8-5-11(16-12(13)14-8)15-10-4-2-3-9(6-10)7-17;/h2-6,17H,7H2,1H3,(H3,13,14,15,16);1H
InChIKeyQGWZYRFJMFKKKP-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.02
Rot. Bonds3

About [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride

[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride (PubChem CID 54604691) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride
PubChem CID54604691
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride
SMILESCc1cc(Nc2cccc(CO)c2)nc(N)n1.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-8-5-11(16-12(13)14-8)15-10-4-2-3-9(6-10)7-17;/h2-6,17H,7H2,1H3,(H3,13,14,15,16);1H
InChIKeyQGWZYRFJMFKKKP-UHFFFAOYSA-N
XLogP2.02
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
6-methyl-4-N-[3-(3-methylphenyl)phenyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 69079480
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
3-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]phenol;2,2,2-trifluoroacetic acid
CID 69080937
ethane;4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 143338862
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80790051
[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
CID 86004324
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
[3-[(3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749143

Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride?
The IUPAC name of [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride (CID 54604691) is [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride.
What is the SMILES notation for [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride?
The canonical SMILES for [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride is Cc1cc(Nc2cccc(CO)c2)nc(N)n1.Cl.
What is the InChIKey of [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride?
The InChIKey is QGWZYRFJMFKKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c1-8-5-11(16-12(13)14-8)15-10-4-2-3-9(6-10)7-17;/h2-6,17H,7H2,1H3,(H3,13,14,15,16);1H.
What are the key properties of [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride?
[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride is sourced from PubChem (CID 54604691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).