2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine

C19H28N4 — CID 112933584

IUPAC2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(-c2ccccc2)nc(N(C)CCCC)n1
InChIInChI=1S/C19H28N4/c1-4-6-13-20-18-15-17(16-11-9-8-10-12-16)21-19(22-18)23(3)14-7-5-2/h8-12,15H,4-7,13-14H2,1-3H3,(H,20,21,22)
InChIKeyJQFYEPAVFHTLOW-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.59
Rot. Bonds9

About 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine

2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933584) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112933584
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(-c2ccccc2)nc(N(C)CCCC)n1
InChIInChI=1S/C19H28N4/c1-4-6-13-20-18-15-17(16-11-9-8-10-12-16)21-19(22-18)23(3)14-7-5-2/h8-12,15H,4-7,13-14H2,1-3H3,(H,20,21,22)
InChIKeyJQFYEPAVFHTLOW-UHFFFAOYSA-N
XLogP4.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.59
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

2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932437
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933755
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
4-[[2-[butyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938019
2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938007
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
CID 55045579
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
CID 112933581
2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899258
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
CID 59340739

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine (CID 112933584) is 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine is CCCCNc1cc(-c2ccccc2)nc(N(C)CCCC)n1.
What is the InChIKey of 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is JQFYEPAVFHTLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-4-6-13-20-18-15-17(16-11-9-8-10-12-16)21-19(22-18)23(3)14-7-5-2/h8-12,15H,4-7,13-14H2,1-3H3,(H,20,21,22).
What are the key properties of 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).