4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine

C10H17N3 — CID 122451975

IUPAC4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine
SMILESC=CC1CC(N)=NC(=C)N1C(C)C
InChIInChI=1S/C10H17N3/c1-5-9-6-10(11)12-8(4)13(9)7(2)3/h5,7,9H,1,4,6H2,2-3H3,(H2,11,12)
InChIKeyYGISMVGOFYNATP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.48
Rot. Bonds2

About 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine

4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine (PubChem CID 122451975) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine
PubChem CID122451975
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine
SMILESC=CC1CC(N)=NC(=C)N1C(C)C
InChIInChI=1S/C10H17N3/c1-5-9-6-10(11)12-8(4)13(9)7(2)3/h5,7,9H,1,4,6H2,2-3H3,(H2,11,12)
InChIKeyYGISMVGOFYNATP-UHFFFAOYSA-N
XLogP1.48
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine?
The IUPAC name of 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine (CID 122451975) is 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine.
What is the SMILES notation for 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine?
The canonical SMILES for 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine is C=CC1CC(N)=NC(=C)N1C(C)C.
What is the InChIKey of 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine?
The InChIKey is YGISMVGOFYNATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-9-6-10(11)12-8(4)13(9)7(2)3/h5,7,9H,1,4,6H2,2-3H3,(H2,11,12).
What are the key properties of 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine?
4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine has a molecular weight of 179.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methylidene-3-propan-2-yl-4,5-dihydropyrimidin-6-amine is sourced from PubChem (CID 122451975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).