6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine

C13H23N3 — CID 145259351

IUPAC6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine
SMILESC=CC(C)C(C)C1=C(N)C(CCC)N=CN1
InChIInChI=1S/C13H23N3/c1-5-7-11-12(14)13(16-8-15-11)10(4)9(3)6-2/h6,8-11H,2,5,7,14H2,1,3-4H3,(H,15,16)
InChIKeyQCAIGBWNIGLZJZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.42
Rot. Bonds5

About 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine

6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine (PubChem CID 145259351) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine.

Molecular Properties

Compound Name6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine
PubChem CID145259351
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine
SMILESC=CC(C)C(C)C1=C(N)C(CCC)N=CN1
InChIInChI=1S/C13H23N3/c1-5-7-11-12(14)13(16-8-15-11)10(4)9(3)6-2/h6,8-11H,2,5,7,14H2,1,3-4H3,(H,15,16)
InChIKeyQCAIGBWNIGLZJZ-UHFFFAOYSA-N
XLogP2.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide
CID 123570444
6-(4-Methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine
CID 126593772
6-(2,3-Dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine
CID 126599338
4-methyl-4,6-di(propan-2-yl)-1H-pyrimidine
CID 130311140
4-Butyl-6-propan-2-yl-1,4-dihydropyrimidine
CID 134546559
6-Methyl-4-propan-2-yl-1,4-dihydropyrimidine
CID 143379720
N'-[(Z)-4-methylhex-2-enyl]-N-prop-1-en-2-ylmethanimidamide
CID 155371478
N-[(Z)-4-(dimethylamino)-4-(2,6-dimethylcyclohexa-2,4-dien-1-yl)but-2-en-2-yl]-N'-methylmethanimidamide
CID 163243760
6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane
CID 164543135
N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide
CID 166872200
4-Methyl-6-(4-methylhexyl)-1,4-dihydropyrimidin-5-amine
CID 167113252
5-amino-6-(2-methyl-3-propan-2-ylpent-4-enyl)-1H-pyrimidine-4-thione
CID 169646265

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The IUPAC name of 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine (CID 145259351) is 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine.
What is the SMILES notation for 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The canonical SMILES for 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine is C=CC(C)C(C)C1=C(N)C(CCC)N=CN1.
What is the InChIKey of 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The InChIKey is QCAIGBWNIGLZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-7-11-12(14)13(16-8-15-11)10(4)9(3)6-2/h6,8-11H,2,5,7,14H2,1,3-4H3,(H,15,16).
What are the key properties of 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine?
6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine has a molecular weight of 221.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine is sourced from PubChem (CID 145259351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).