6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine

C15H19ClN4 — CID 112867947

IUPAC6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C15H19ClN4/c1-3-4-9-17-14-10-15(19-11(2)18-14)20-13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyDDGLMDKBAIEHFM-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.39
Rot. Bonds6

About 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine

6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112867947) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112867947
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C15H19ClN4/c1-3-4-9-17-14-10-15(19-11(2)18-14)20-13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyDDGLMDKBAIEHFM-UHFFFAOYSA-N
XLogP4.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-butyl-4-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868007
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
4-N-(4-chlorophenyl)-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870610
2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247
6-N-butyl-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112867983
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
1-[4-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112876296
4-N-(4-chlorophenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874228
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876167

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112867947) is 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine is CCCCNc1cc(Nc2ccc(Cl)cc2)nc(C)n1.
What is the InChIKey of 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is DDGLMDKBAIEHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-4-9-17-14-10-15(19-11(2)18-14)20-13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine?
6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).