(2-anilino-6-methylpyrimidin-4-yl)methanol

C12H13N3O — CID 14327569

IUPAC(2-anilino-6-methylpyrimidin-4-yl)methanol
SMILESCc1cc(CO)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-9-7-11(8-16)15-12(13-9)14-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,13,14,15)
InChIKeyICVNJIFYUVQAIA-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.02
Rot. Bonds3

About (2-anilino-6-methylpyrimidin-4-yl)methanol

(2-anilino-6-methylpyrimidin-4-yl)methanol (PubChem CID 14327569) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2-anilino-6-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-anilino-6-methylpyrimidin-4-yl)methanol
PubChem CID14327569
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2-anilino-6-methylpyrimidin-4-yl)methanol
SMILESCc1cc(CO)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-9-7-11(8-16)15-12(13-9)14-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,13,14,15)
InChIKeyICVNJIFYUVQAIA-UHFFFAOYSA-N
XLogP2.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimethanil, 4'-hydroxy
CID 741703
1-(2-Anilino-6-methyl-4-pyrimidinyl)-2-propanol
CID 57418123
2-Anilino-4-hydroxymethyl-6-cyclopropylpyrimidine
CID 19874094
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2S)-2-hydroxy-2-phenyl-ethyl]guanidine
CID 6480066
2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol
CID 3013269
N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-hydroxyphenyl)guanidine
CID 5728517
3-(2-Anilino-6-methyl-4-pyrimidinyl)-1,2-propanediol
CID 86196820
(2E)-3-(2-Anilino-6-methyl-4-pyrimidinyl)-2-propen-1-ol
CID 165362759
1-(4,6-Dimethylpyrimidin-2-yl)-3-(2-hydroxyphenyl)guanidine
CID 2883462
6-Hydroxymethylsulfadimidine
CID 162643
(6-Methyl-2-phenylpyrimidin-4-yl)methanol
CID 12376140
N-(3-fluorophenyl)-N-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]hydroxylamine
CID 19893948

Frequently Asked Questions

What is the IUPAC name of (2-anilino-6-methylpyrimidin-4-yl)methanol?
The IUPAC name of (2-anilino-6-methylpyrimidin-4-yl)methanol (CID 14327569) is (2-anilino-6-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for (2-anilino-6-methylpyrimidin-4-yl)methanol?
The canonical SMILES for (2-anilino-6-methylpyrimidin-4-yl)methanol is Cc1cc(CO)nc(Nc2ccccc2)n1.
What is the InChIKey of (2-anilino-6-methylpyrimidin-4-yl)methanol?
The InChIKey is ICVNJIFYUVQAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-7-11(8-16)15-12(13-9)14-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,13,14,15).
What are the key properties of (2-anilino-6-methylpyrimidin-4-yl)methanol?
(2-anilino-6-methylpyrimidin-4-yl)methanol has a molecular weight of 215.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-6-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 14327569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).