[4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol

C18H15Cl2N3O — CID 10689847

IUPAC[4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol
SMILESCc1nc(-c2ccccc2)nc(Nc2ccc(Cl)c(Cl)c2)c1CO
InChIInChI=1S/C18H15Cl2N3O/c1-11-14(10-24)18(22-13-7-8-15(19)16(20)9-13)23-17(21-11)12-5-3-2-4-6-12/h2-9,24H,10H2,1H3,(H,21,22,23)
InChIKeyRBDNAQVYXNQSMU-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.99
Rot. Bonds4

About [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol

[4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol (PubChem CID 10689847) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol
PubChem CID10689847
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name[4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol
SMILESCc1nc(-c2ccccc2)nc(Nc2ccc(Cl)c(Cl)c2)c1CO
InChIInChI=1S/C18H15Cl2N3O/c1-11-14(10-24)18(22-13-7-8-15(19)16(20)9-13)23-17(21-11)12-5-3-2-4-6-12/h2-9,24H,10H2,1H3,(H,21,22,23)
InChIKeyRBDNAQVYXNQSMU-UHFFFAOYSA-N
XLogP4.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6Z)-6-[4-(3-chloroanilino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 719251
2-({2-[(3,4-Dichlorophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2974249
2-{(6Z)-6-[(4-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
CID 719255
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094
2-[[2-(3,4-Dichloroanilino)-4-quinazolinyl]amino]ethanol;hydrochloride
CID 2229100
(4-Chlorophenyl)(2-methyl-6-phenylpyrimidin-4-yl)amine
CID 16014871
N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 162649279
2-(4-((6-(3-Chlorophenyl)-2-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90112479
1-(3,4-Dichlorophenyl)-2-[4-[4-(diethylaminomethyl)anilino]-6-methylpyrimidin-2-yl]guanidine
CID 9602562
2-[[2-(3,4-Dichloroanilino)quinazolin-4-yl]amino]ethanol chloride
CID 53351738
4-(4-Chloroanilino)-6-methyl-2-phenylpyrimidine-5-carboxylic acid
CID 10088593
N-(3,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 53214589

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol (CID 10689847) is [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol is Cc1nc(-c2ccccc2)nc(Nc2ccc(Cl)c(Cl)c2)c1CO.
What is the InChIKey of [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol?
The InChIKey is RBDNAQVYXNQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-11-14(10-24)18(22-13-7-8-15(19)16(20)9-13)23-17(21-11)12-5-3-2-4-6-12/h2-9,24H,10H2,1H3,(H,21,22,23).
What are the key properties of [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol?
[4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol has a molecular weight of 360.24 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol is sourced from PubChem (CID 10689847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).