6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine

C16H20ClN3 — CID 80974794

IUPAC6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3/c1-4-7-14-19-15(11(3)16(20-14)18-5-2)12-8-6-9-13(17)10-12/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyRFPCAQQNKOCDFK-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.49
Rot. Bonds5

About 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine

6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80974794) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80974794
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3/c1-4-7-14-19-15(11(3)16(20-14)18-5-2)12-8-6-9-13(17)10-12/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyRFPCAQQNKOCDFK-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977454
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63561739
6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977253
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine
CID 104846876
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
N-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80975348
4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80985283
N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977618
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine (CID 80974794) is 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is RFPCAQQNKOCDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-7-14-19-15(11(3)16(20-14)18-5-2)12-8-6-9-13(17)10-12/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80974794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).