4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine

C11H20N4 — CID 80818217

IUPAC4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine
SMILESCCCC(CC)Nc1nc(N)ncc1C
InChIInChI=1S/C11H20N4/c1-4-6-9(5-2)14-10-8(3)7-13-11(12)15-10/h7,9H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyIAYKHHGXWNIPRV-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.36
Rot. Bonds5

About 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine

4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine (PubChem CID 80818217) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine
PubChem CID80818217
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine
SMILESCCCC(CC)Nc1nc(N)ncc1C
InChIInChI=1S/C11H20N4/c1-4-6-9(5-2)14-10-8(3)7-13-11(12)15-10/h7,9H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyIAYKHHGXWNIPRV-UHFFFAOYSA-N
XLogP2.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-hexan-3-yl-5-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

N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80908190
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
4-N-butan-2-yl-5-methylpyrimidine-2,4-diamine
CID 67950742
4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
CID 71041918
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186453
5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80768940
5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
CID 66991742
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80821693
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
4-N-[3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine
CID 72916907

Frequently Asked Questions

What is the IUPAC name of 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine (CID 80818217) is 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine is CCCC(CC)Nc1nc(N)ncc1C.
What is the InChIKey of 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine?
The InChIKey is IAYKHHGXWNIPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-6-9(5-2)14-10-8(3)7-13-11(12)15-10/h7,9H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine?
4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80818217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).