4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine

C14H26N4 — CID 80967077

IUPAC4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(C)c1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C14H26N4/c1-7-11(8-2)18(6)13-9-12(15-5)16-14(17-13)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyIQJORYHCZLTHKG-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.27
Rot. Bonds6

About 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80967077) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80967077
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(C)c1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C14H26N4/c1-7-11(8-2)18(6)13-9-12(15-5)16-14(17-13)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyIQJORYHCZLTHKG-UHFFFAOYSA-N
XLogP3.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,6-N-dimethyl-4-N-pentan-3-yl-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-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967348
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770867
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967655
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967150
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962058
6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80968795
4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80934109
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
N,N-dimethyl-2-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-propylamino]acetamide
CID 80961595
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961121

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80967077) is 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine is CCC(CC)N(C)c1cc(NC)nc(C(C)C)n1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is IQJORYHCZLTHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-11(8-2)18(6)13-9-12(15-5)16-14(17-13)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).