2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine

C19H28N4 — CID 112900078

IUPAC2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1ccnc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H28N4/c1-5-6-14-22(4)18-12-13-20-19(21-18)23(16(2)3)15-17-10-8-7-9-11-17/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyLPASXTLMOQWTCR-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.13
Rot. Bonds8

About 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine

2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112900078) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112900078
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1ccnc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H28N4/c1-5-6-14-22(4)18-12-13-20-19(21-18)23(16(2)3)15-17-10-8-7-9-11-17/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyLPASXTLMOQWTCR-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
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-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876085
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine
CID 139402169
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890972
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112893961
2-(4-benzylpiperazin-1-yl)-N-butyl-N-methylpyrimidin-4-amine
CID 112896327
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
2-N-benzyl-4-N-[4-(dimethylamino)phenyl]-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900118

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112900078) is 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is CCCCN(C)c1ccnc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is LPASXTLMOQWTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-5-6-14-22(4)18-12-13-20-19(21-18)23(16(2)3)15-17-10-8-7-9-11-17/h7-13,16H,5-6,14-15H2,1-4H3.
What are the key properties of 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).