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

C19H28N4 — CID 112867908

IUPAC4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(N(Cc2ccccc2)C(C)C)nc(C)n1
InChIInChI=1S/C19H28N4/c1-5-6-12-20-18-13-19(22-16(4)21-18)23(15(2)3)14-17-10-8-7-9-11-17/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,20,21,22)
InChIKeyDWVWPAJTOGDCOB-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.41
Rot. Bonds8

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

4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112867908) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112867908
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(N(Cc2ccccc2)C(C)C)nc(C)n1
InChIInChI=1S/C19H28N4/c1-5-6-12-20-18-13-19(22-16(4)21-18)23(15(2)3)14-17-10-8-7-9-11-17/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,20,21,22)
InChIKeyDWVWPAJTOGDCOB-UHFFFAOYSA-N
XLogP4.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872608
4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872925
4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876085
4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112873142
4-N-benzyl-6-N-(3-methoxyphenyl)-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876099
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
2-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194876
methyl 4-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112876113
4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925035
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846418

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112867908) is 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CCCCNc1cc(N(Cc2ccccc2)C(C)C)nc(C)n1.
What is the InChIKey of 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DWVWPAJTOGDCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-5-6-12-20-18-13-19(22-16(4)21-18)23(15(2)3)14-17-10-8-7-9-11-17/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,20,21,22).
What are the key properties of 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).