5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine

C8H13N3 — CID 118973444

IUPAC5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine
SMILESC/C=C\C1N=CNC(N)=C1C
InChIInChI=1S/C8H13N3/c1-3-4-7-6(2)8(9)11-5-10-7/h3-5,7H,9H2,1-2H3,(H,10,11)/b4-3-
InChIKeyJTSMHVUFRROYPL-ARJAWSKDSA-N
MW151.21 g/mol
LogP0.75
Rot. Bonds1

About 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine

5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine (PubChem CID 118973444) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine
PubChem CID118973444
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine
SMILESC/C=C\C1N=CNC(N)=C1C
InChIInChI=1S/C8H13N3/c1-3-4-7-6(2)8(9)11-5-10-7/h3-5,7H,9H2,1-2H3,(H,10,11)/b4-3-
InChIKeyJTSMHVUFRROYPL-ARJAWSKDSA-N
XLogP0.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.75
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 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine?
The IUPAC name of 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine (CID 118973444) is 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine is C/C=C\C1N=CNC(N)=C1C.
What is the InChIKey of 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine?
The InChIKey is JTSMHVUFRROYPL-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-4-7-6(2)8(9)11-5-10-7/h3-5,7H,9H2,1-2H3,(H,10,11)/b4-3-.
What are the key properties of 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine?
5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine has a molecular weight of 151.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 118973444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).