2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine

C17H24N4 — CID 112909138

IUPAC2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(N(CC)c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-5-13(3)18-17-19-14(4)12-16(20-17)21(6-2)15-10-8-7-9-11-15/h7-13H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyLJUNNJHJQPATQB-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.15
Rot. Bonds6

About 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine

2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112909138) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112909138
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(N(CC)c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-5-13(3)18-17-19-14(4)12-16(20-17)21(6-2)15-10-8-7-9-11-15/h7-13H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyLJUNNJHJQPATQB-UHFFFAOYSA-N
XLogP4.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112909105
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
4-N-ethyl-6-methyl-4-N-phenyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928803
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872102
4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112928811
4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112928805
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80844969
4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112908809

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 112909138) is 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine is CCC(C)Nc1nc(C)cc(N(CC)c2ccccc2)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is LJUNNJHJQPATQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-13(3)18-17-19-14(4)12-16(20-17)21(6-2)15-10-8-7-9-11-15/h7-13H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).