6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C16H20ClN3O — CID 80972238

IUPAC6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cccc(N(C)c2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C16H20ClN3O/c1-10(2)15-18-14(17)11(3)16(19-15)20(4)12-7-6-8-13(9-12)21-5/h6-10H,1-5H3
InChIKeyVKGVIRNRWAGWAS-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.34
Rot. Bonds4

About 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80972238) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80972238
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cccc(N(C)c2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C16H20ClN3O/c1-10(2)15-18-14(17)11(3)16(19-15)20(4)12-7-6-8-13(9-12)21-5/h6-10H,1-5H3
InChIKeyVKGVIRNRWAGWAS-UHFFFAOYSA-N
XLogP4.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80972239
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970109
3,5-dichloro-6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
CID 102761928
6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine
CID 55079871
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136
N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80979906
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 62858681
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 62863477
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80972238) is 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is COc1cccc(N(C)c2nc(C(C)C)nc(Cl)c2C)c1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VKGVIRNRWAGWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10(2)15-18-14(17)11(3)16(19-15)20(4)12-7-6-8-13(9-12)21-5/h6-10H,1-5H3.
What are the key properties of 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80972238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).