6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine

C14H25N3 — CID 126599338

IUPAC6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine
SMILESC=CC(C)C(C)CC1=C(N)C(CCC)N=CN1
InChIInChI=1S/C14H25N3/c1-5-7-12-14(15)13(17-9-16-12)8-11(4)10(3)6-2/h6,9-12H,2,5,7-8,15H2,1,3-4H3,(H,16,17)
InChIKeyHFATXYVCMSGULO-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.81
Rot. Bonds6

About 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine

6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine (PubChem CID 126599338) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine.

Molecular Properties

Compound Name6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine
PubChem CID126599338
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine
SMILESC=CC(C)C(C)CC1=C(N)C(CCC)N=CN1
InChIInChI=1S/C14H25N3/c1-5-7-12-14(15)13(17-9-16-12)8-11(4)10(3)6-2/h6,9-12H,2,5,7-8,15H2,1,3-4H3,(H,16,17)
InChIKeyHFATXYVCMSGULO-UHFFFAOYSA-N
XLogP2.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The IUPAC name of 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine (CID 126599338) is 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine.
What is the SMILES notation for 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The canonical SMILES for 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine is C=CC(C)C(C)CC1=C(N)C(CCC)N=CN1.
What is the InChIKey of 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The InChIKey is HFATXYVCMSGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-7-12-14(15)13(17-9-16-12)8-11(4)10(3)6-2/h6,9-12H,2,5,7-8,15H2,1,3-4H3,(H,16,17).
What are the key properties of 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine?
6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine has a molecular weight of 235.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine is sourced from PubChem (CID 126599338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).