2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine

C15H28N4 — CID 80935431

IUPAC2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCC(C)C)nc(CC)n1
InChIInChI=1S/C15H28N4/c1-5-9-16-14-11-15(19-13(6-2)18-14)17-10-7-8-12(3)4/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyZNGXMCOJAUNQGS-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.71
Rot. Bonds9

About 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine

2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80935431) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80935431
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCC(C)C)nc(CC)n1
InChIInChI=1S/C15H28N4/c1-5-9-16-14-11-15(19-13(6-2)18-14)17-10-7-8-12(3)4/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyZNGXMCOJAUNQGS-UHFFFAOYSA-N
XLogP3.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
2-ethyl-4-N-(3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935369
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989348
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80940294
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine (CID 80935431) is 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCCC(C)C)nc(CC)n1.
What is the InChIKey of 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZNGXMCOJAUNQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-9-16-14-11-15(19-13(6-2)18-14)17-10-7-8-12(3)4/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine?
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80935431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).