4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H30N4 — CID 80976255

IUPAC4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCN(CCCC)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C16H30N4/c1-6-8-10-20(11-9-7-2)16-13(5)14(17)18-15(19-16)12(3)4/h12H,6-11H2,1-5H3,(H2,17,18,19)
InChIKeyVZOXJLSHULCSFA-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.90
Rot. Bonds8

About 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80976255) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80976255
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCN(CCCC)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C16H30N4/c1-6-8-10-20(11-9-7-2)16-13(5)14(17)18-15(19-16)12(3)4/h12H,6-11H2,1-5H3,(H2,17,18,19)
InChIKeyVZOXJLSHULCSFA-UHFFFAOYSA-N
XLogP3.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993450
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992209
N-butyl-N-ethyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81005990
4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976041
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107403147
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207586
4-N,5-dimethyl-2-propan-2-yl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068833
4-N-(cyclopropylmethyl)-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80982410
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80981052

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80976255) is 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCCCN(CCCC)c1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is VZOXJLSHULCSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-8-10-20(11-9-7-2)16-13(5)14(17)18-15(19-16)12(3)4/h12H,6-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).