4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine

C19H28N4 — CID 112918901

IUPAC4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(N(CC)Cc2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-5-7-13-22(4)19-20-16(3)14-18(21-19)23(6-2)15-17-11-9-8-10-12-17/h8-12,14H,5-7,13,15H2,1-4H3
InChIKeyGNRLXIWPOQANEU-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.05
Rot. Bonds8

About 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112918901) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112918901
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(N(CC)Cc2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-5-7-13-22(4)19-20-16(3)14-18(21-19)23(6-2)15-17-11-9-8-10-12-17/h8-12,14H,5-7,13,15H2,1-4H3
InChIKeyGNRLXIWPOQANEU-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-butyl-2-N,2-N-diethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112924207
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
4-N-benzyl-4-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112918908
2-N-butyl-4-N,4-N-diethyl-6-methyl-2-N-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-diamine
CID 19792025
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915931
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
2-(4-benzylpiperazin-1-yl)-N-butyl-N,6-dimethylpyrimidin-4-amine
CID 112922133

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine (CID 112918901) is 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine is CCCCN(C)c1nc(C)cc(N(CC)Cc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is GNRLXIWPOQANEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-5-7-13-22(4)19-20-16(3)14-18(21-19)23(6-2)15-17-11-9-8-10-12-17/h8-12,14H,5-7,13,15H2,1-4H3.
What are the key properties of 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).