6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine

C14H23N3 — CID 126593772

IUPAC6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine
SMILESC=C=C(C)CCCC1=C(N)C(CCC)N=CN1
InChIInChI=1S/C14H23N3/c1-4-7-12-14(15)13(17-10-16-12)9-6-8-11(3)5-2/h10,12H,2,4,6-9,15H2,1,3H3,(H,16,17)
InChIKeyCQUXXWXKMAFFHR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.86
Rot. Bonds6

About 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine

6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine (PubChem CID 126593772) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine.

Molecular Properties

Compound Name6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine
PubChem CID126593772
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine
SMILESC=C=C(C)CCCC1=C(N)C(CCC)N=CN1
InChIInChI=1S/C14H23N3/c1-4-7-12-14(15)13(17-10-16-12)9-6-8-11(3)5-2/h10,12H,2,4,6-9,15H2,1,3H3,(H,16,17)
InChIKeyCQUXXWXKMAFFHR-UHFFFAOYSA-N
XLogP2.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The IUPAC name of 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine (CID 126593772) is 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine.
What is the SMILES notation for 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The canonical SMILES for 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine is C=C=C(C)CCCC1=C(N)C(CCC)N=CN1.
What is the InChIKey of 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine?
The InChIKey is CQUXXWXKMAFFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-7-12-14(15)13(17-10-16-12)9-6-8-11(3)5-2/h10,12H,2,4,6-9,15H2,1,3H3,(H,16,17).
What are the key properties of 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine?
6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine has a molecular weight of 233.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine is sourced from PubChem (CID 126593772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).