5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine

C18H17ClN4O — CID 21304985

IUPAC5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(-c3ccc(C)cn3)nc(C)c2Cl)c1
InChIInChI=1S/C18H17ClN4O/c1-11-7-8-15(20-10-11)17-21-12(2)16(19)18(23-17)22-13-5-4-6-14(9-13)24-3/h4-10H,1-3H3,(H,21,22,23)
InChIKeyYYRKEDZBJYCQGI-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.56
Rot. Bonds4

About 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine

5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 21304985) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID21304985
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(-c3ccc(C)cn3)nc(C)c2Cl)c1
InChIInChI=1S/C18H17ClN4O/c1-11-7-8-15(20-10-11)17-21-12(2)16(19)18(23-17)22-13-5-4-6-14(9-13)24-3/h4-10H,1-3H3,(H,21,22,23)
InChIKeyYYRKEDZBJYCQGI-UHFFFAOYSA-N
XLogP4.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412255
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine
CID 154647617
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine
CID 66714164
6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58345945
2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine
CID 89215880
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 70695604
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine (CID 21304985) is 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine is COc1cccc(Nc2nc(-c3ccc(C)cn3)nc(C)c2Cl)c1.
What is the InChIKey of 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is YYRKEDZBJYCQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-7-8-15(20-10-11)17-21-12(2)16(19)18(23-17)22-13-5-4-6-14(9-13)24-3/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 340.81 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxyphenyl)-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 21304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).