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

C19H28N4 — CID 112879896

IUPAC6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NC(C)CC)nc(-c2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-5-7-13-23(4)18-14-17(20-15(3)6-2)21-19(22-18)16-11-9-8-10-12-16/h8-12,14-15H,5-7,13H2,1-4H3,(H,20,21,22)
InChIKeySXTJJZHQWJHKLV-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.59
Rot. Bonds8

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

6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879896) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
PubChem CID112879896
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NC(C)CC)nc(-c2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-5-7-13-23(4)18-14-17(20-15(3)6-2)21-19(22-18)16-11-9-8-10-12-16/h8-12,14-15H,5-7,13H2,1-4H3,(H,20,21,22)
InChIKeySXTJJZHQWJHKLV-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
CID 59340739
4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872081
6-N-butyl-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112879731
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212
N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879854
N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
CID 142806222
6-(azepan-1-yl)-N-butan-2-yl-2-phenylpyrimidin-4-amine
CID 112879898
4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 115915730
1-[4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112853886
4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 112853871

Frequently Asked Questions

What is the IUPAC name of 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine (CID 112879896) is 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine is CCCCN(C)c1cc(NC(C)CC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is SXTJJZHQWJHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-5-7-13-23(4)18-14-17(20-15(3)6-2)21-19(22-18)16-11-9-8-10-12-16/h8-12,14-15H,5-7,13H2,1-4H3,(H,20,21,22).
What are the key properties of 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).