4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine

C15H20ClN5 — CID 19139806

IUPAC4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
SMILESCCCCN(C)c1ncnc(Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H20ClN5/c1-3-4-9-21(2)15-13(17)14(18-10-19-15)20-12-7-5-11(16)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,19,20)
InChIKeyYRKWYMDNSVDGPU-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.69
Rot. Bonds6

About 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine

4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine (PubChem CID 19139806) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
PubChem CID19139806
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
SMILESCCCCN(C)c1ncnc(Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H20ClN5/c1-3-4-9-21(2)15-13(17)14(18-10-19-15)20-12-7-5-11(16)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,19,20)
InChIKeyYRKWYMDNSVDGPU-UHFFFAOYSA-N
XLogP3.69
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-6-N-(3-chloro-4-fluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139861
4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139880
4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19139796
4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135249
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
N'-[5-amino-6-[butyl(methyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139837
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
6-N-(3-chloro-4-fluorophenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136830
6-N-(4-butoxyphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545988
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
6-chloro-4-N-methyl-4-N-propylpyrimidine-4,5-diamine
CID 63024110

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine (CID 19139806) is 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine is CCCCN(C)c1ncnc(Nc2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The InChIKey is YRKWYMDNSVDGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-3-4-9-21(2)15-13(17)14(18-10-19-15)20-12-7-5-11(16)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine?
4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine has a molecular weight of 305.81 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19139806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).