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

C20H30N4 — CID 112925035

IUPAC4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C20H30N4/c1-6-7-13-23(5)20-21-17(4)14-19(22-20)24(16(2)3)15-18-11-9-8-10-12-18/h8-12,14,16H,6-7,13,15H2,1-5H3
InChIKeyFGJXLPNNRJYCHR-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.44
Rot. Bonds8

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

4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112925035) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112925035
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C20H30N4/c1-6-7-13-23(5)20-21-17(4)14-19(22-20)24(16(2)3)15-18-11-9-8-10-12-18/h8-12,14,16H,6-7,13,15H2,1-5H3
InChIKeyFGJXLPNNRJYCHR-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-Phenylpyrimidine
CID 18923
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Amino-4-phenylpyrimidine
CID 598777
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
Revaprazan
CID 204104
4-Iodo-6-phenylpyrimidine
CID 817368
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112925035) is 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CCCCN(C)c1nc(C)cc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is FGJXLPNNRJYCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-6-7-13-23(5)20-21-17(4)14-19(22-20)24(16(2)3)15-18-11-9-8-10-12-18/h8-12,14,16H,6-7,13,15H2,1-5H3.
What are the key properties of 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 326.49 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).