6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine

C16H20ClN3 — CID 63728785

IUPAC6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1ncnc(Cl)c1C(C)C
InChIInChI=1S/C16H20ClN3/c1-5-20(13-8-6-7-12(4)9-13)16-14(11(2)3)15(17)18-10-19-16/h6-11H,5H2,1-4H3
InChIKeyZXFDDDHWCAZFAN-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.72
Rot. Bonds4

About 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63728785) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID63728785
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1ncnc(Cl)c1C(C)C
InChIInChI=1S/C16H20ClN3/c1-5-20(13-8-6-7-12(4)9-13)16-14(11(2)3)15(17)18-10-19-16/h6-11H,5H2,1-4H3
InChIKeyZXFDDDHWCAZFAN-UHFFFAOYSA-N
XLogP4.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483
N-ethyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80899461
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
6-N-(2-chloro-3-pyridinyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477874
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80756958
4-N-ethyl-6-N-(3-methylbutyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477836
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22539280
5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 63539159
4-chloro-6-[(3-methylphenyl)methylsulfanyl]-5-propan-2-ylpyrimidine
CID 63730826

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine (CID 63728785) is 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine is CCN(c1cccc(C)c1)c1ncnc(Cl)c1C(C)C.
What is the InChIKey of 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZXFDDDHWCAZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-5-20(13-8-6-7-12(4)9-13)16-14(11(2)3)15(17)18-10-19-16/h6-11H,5H2,1-4H3.
What are the key properties of 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).