4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine

C18H26N4 — CID 112872081

IUPAC4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C18H26N4/c1-5-6-12-22(4)18-13-17(20-15(3)21-18)19-14(2)16-10-8-7-9-11-16/h7-11,13-14H,5-6,12H2,1-4H3,(H,19,20,21)
InChIKeyXVGOKFKYNVCBMJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.19
Rot. Bonds7

About 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine

4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112872081) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112872081
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C18H26N4/c1-5-6-12-22(4)18-13-17(20-15(3)21-18)19-14(2)16-10-8-7-9-11-16/h7-11,13-14H,5-6,12H2,1-4H3,(H,19,20,21)
InChIKeyXVGOKFKYNVCBMJ-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872102
6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112879896
2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867661
4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876085
4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876442
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876377
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579
4-N-butyl-4-N,2-dimethyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112876409
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine (CID 112872081) is 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine is CCCCN(C)c1cc(NC(C)c2ccccc2)nc(C)n1.
What is the InChIKey of 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is XVGOKFKYNVCBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-5-6-12-22(4)18-13-17(20-15(3)21-18)19-14(2)16-10-8-7-9-11-16/h7-11,13-14H,5-6,12H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine?
4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).