4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C20H30N4 — CID 112876085

IUPAC4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(N(Cc2ccccc2)C(C)C)nc(C)n1
InChIInChI=1S/C20H30N4/c1-6-7-13-23(5)19-14-20(22-17(4)21-19)24(16(2)3)15-18-11-9-8-10-12-18/h8-12,14,16H,6-7,13,15H2,1-5H3
InChIKeyWRPIEOQNFSUDLW-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.44
Rot. Bonds8

About 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112876085) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112876085
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(N(Cc2ccccc2)C(C)C)nc(C)n1
InChIInChI=1S/C20H30N4/c1-6-7-13-23(5)19-14-20(22-17(4)21-19)24(16(2)3)15-18-11-9-8-10-12-18/h8-12,14,16H,6-7,13,15H2,1-5H3
InChIKeyWRPIEOQNFSUDLW-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925035
4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867908
2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900078
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872081
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579
6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
CID 112876342
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112876095

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112876085) is 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CCCCN(C)c1cc(N(Cc2ccccc2)C(C)C)nc(C)n1.
What is the InChIKey of 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WRPIEOQNFSUDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-6-7-13-23(5)19-14-20(22-17(4)21-19)24(16(2)3)15-18-11-9-8-10-12-18/h8-12,14,16H,6-7,13,15H2,1-5H3.
What are the key properties of 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 326.49 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).