4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine

C15H20ClN5 — CID 19150593

IUPAC4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(NCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H20ClN5/c1-3-10(2)21-15-13(17)14(19-9-20-15)18-8-11-4-6-12(16)7-5-11/h4-7,9-10H,3,8,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyBGPVZXWBFGBEIK-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.53
Rot. Bonds6

About 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine

4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine (PubChem CID 19150593) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
PubChem CID19150593
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(NCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H20ClN5/c1-3-10(2)21-15-13(17)14(19-9-20-15)18-8-11-4-6-12(16)7-5-11/h4-7,9-10H,3,8,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyBGPVZXWBFGBEIK-UHFFFAOYSA-N
XLogP3.53
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-butyl-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19134877
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555
6-butoxy-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 82455263
4-N-[(4-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145582
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546528
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147805
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22547277
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150565
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine (CID 19150593) is 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine is CCC(C)Nc1ncnc(NCc2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine?
The InChIKey is BGPVZXWBFGBEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-3-10(2)21-15-13(17)14(19-9-20-15)18-8-11-4-6-12(16)7-5-11/h4-7,9-10H,3,8,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine?
4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine has a molecular weight of 305.81 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19150593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).