5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine

C12H13ClN4O — CID 146516000

IUPAC5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Cl)c(C)n2)c(C)cn1
InChIInChI=1S/C12H13ClN4O/c1-7-5-14-11(18-3)4-10(7)17-12-15-6-9(13)8(2)16-12/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyISLVFNMBPZVBLF-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.89
Rot. Bonds3

About 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine

5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine (PubChem CID 146516000) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine
PubChem CID146516000
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Cl)c(C)n2)c(C)cn1
InChIInChI=1S/C12H13ClN4O/c1-7-5-14-11(18-3)4-10(7)17-12-15-6-9(13)8(2)16-12/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyISLVFNMBPZVBLF-UHFFFAOYSA-N
XLogP2.89
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-methoxy-5-methyl-4-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118896267
4-N-(2-amino-4-methylphenyl)-2-N-(2-methoxy-5-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 90338980
4-heptan-4-yloxy-N-(2-methoxy-5-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 145190817
N-[4-(4-tert-butylpiperazin-1-yl)-2-methoxyphenyl]-5-chloro-4-methylpyrimidin-2-amine
CID 118297599
5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 155665823
5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106999086
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051
5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998597
4-bromo-5-chloro-2-methoxypyridine
CID 70700260
5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 69084480
5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
CID 126530457
N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine
CID 69281716

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine (CID 146516000) is 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine is COc1cc(Nc2ncc(Cl)c(C)n2)c(C)cn1.
What is the InChIKey of 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine?
The InChIKey is ISLVFNMBPZVBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-5-14-11(18-3)4-10(7)17-12-15-6-9(13)8(2)16-12/h4-6H,1-3H3,(H,14,15,16,17).
What are the key properties of 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine?
5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 146516000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).