4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine

C13H24N4 — CID 80817415

IUPAC4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(CC)CCC)ncn1
InChIInChI=1S/C13H24N4/c1-4-7-11(6-3)17-13-9-12(14-8-5-2)15-10-16-13/h9-11H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyNQZULWHFKZLLTM-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.29
Rot. Bonds8

About 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine

4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80817415) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80817415
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(CC)CCC)ncn1
InChIInChI=1S/C13H24N4/c1-4-7-11(6-3)17-13-9-12(14-8-5-2)15-10-16-13/h9-11H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyNQZULWHFKZLLTM-UHFFFAOYSA-N
XLogP3.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-hexan-3-yl-6-N-propylpyrimidine-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

3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
CID 80816058
4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80827059
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
N-hexan-3-ylpyrimidin-4-amine
CID 62117651
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80781938
6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781949
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657

Frequently Asked Questions

What is the IUPAC name of 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine (CID 80817415) is 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(CC)CCC)ncn1.
What is the InChIKey of 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NQZULWHFKZLLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-7-11(6-3)17-13-9-12(14-8-5-2)15-10-16-13/h9-11H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.29, 8 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-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80817415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).