2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

C13H24N4 — CID 112909105

IUPAC2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(N(CC)CC)n1
InChIInChI=1S/C13H24N4/c1-6-10(4)14-13-15-11(5)9-12(16-13)17(7-2)8-3/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyNAMYSVDQTPQMTR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.84
Rot. Bonds6

About 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112909105) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112909105
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(N(CC)CC)n1
InChIInChI=1S/C13H24N4/c1-6-10(4)14-13-15-11(5)9-12(16-13)17(7-2)8-3/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyNAMYSVDQTPQMTR-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-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

2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112909138
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774522
2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924103
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80849332
4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112924138
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 43518888
2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
CID 63732356
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 112909105) is 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is CCC(C)Nc1nc(C)cc(N(CC)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is NAMYSVDQTPQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-10(4)14-13-15-11(5)9-12(16-13)17(7-2)8-3/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.84, 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,4-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).