2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine

C18H26N4 — CID 112932437

IUPAC2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(NCCC)cc(-c2ccccc2)n1
InChIInChI=1S/C18H26N4/c1-4-6-13-22(3)18-20-16(15-10-8-7-9-11-15)14-17(21-18)19-12-5-2/h7-11,14H,4-6,12-13H2,1-3H3,(H,19,20,21)
InChIKeyFWPLJRNCDYPJDQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.20
Rot. Bonds8

About 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine

2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112932437) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID112932437
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(NCCC)cc(-c2ccccc2)n1
InChIInChI=1S/C18H26N4/c1-4-6-13-22(3)18-20-16(15-10-8-7-9-11-15)14-17(21-18)19-12-5-2/h7-11,14H,4-6,12-13H2,1-3H3,(H,19,20,21)
InChIKeyFWPLJRNCDYPJDQ-UHFFFAOYSA-N
XLogP4.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933584
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933755
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
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-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65132208
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine (CID 112932437) is 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine is CCCCN(C)c1nc(NCCC)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is FWPLJRNCDYPJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-6-13-22(3)18-20-16(15-10-8-7-9-11-15)14-17(21-18)19-12-5-2/h7-11,14H,4-6,12-13H2,1-3H3,(H,19,20,21).
What are the key properties of 2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine?
2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.20, 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-6-phenyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).