2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine

C19H28N4 — CID 112933755

IUPAC2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(NCC(C)C)cc(-c2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-5-6-12-23(4)19-21-17(16-10-8-7-9-11-16)13-18(22-19)20-14-15(2)3/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,20,21,22)
InChIKeyQBVXAYSRPKDZOW-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.45
Rot. Bonds8

About 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine

2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933755) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112933755
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(NCC(C)C)cc(-c2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-5-6-12-23(4)19-21-17(16-10-8-7-9-11-16)13-18(22-19)20-14-15(2)3/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,20,21,22)
InChIKeyQBVXAYSRPKDZOW-UHFFFAOYSA-N
XLogP4.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932437
2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933584
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555
4-[[2-[butyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938019
2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938007
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
CID 55045579
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681479
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine
CID 59340718

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (CID 112933755) is 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is CCCCN(C)c1nc(NCC(C)C)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is QBVXAYSRPKDZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-5-6-12-23(4)19-21-17(16-10-8-7-9-11-16)13-18(22-19)20-14-15(2)3/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,20,21,22).
What are the key properties of 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).