4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine

C9H14N4 — CID 118228797

IUPAC4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine
SMILES[H]/N=C/C(=C\CC)C1C=CNC(N)=N1
InChIInChI=1S/C9H14N4/c1-2-3-7(6-10)8-4-5-12-9(11)13-8/h3-6,8,10H,2H2,1H3,(H3,11,12,13)/b7-3+,10-6+
InChIKeyMRWBXSACTAADRQ-ASVGJQBISA-N
MW178.24 g/mol
LogP0.77
Rot. Bonds3

About 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine

4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine (PubChem CID 118228797) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine
PubChem CID118228797
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine
SMILES[H]/N=C/C(=C\CC)C1C=CNC(N)=N1
InChIInChI=1S/C9H14N4/c1-2-3-7(6-10)8-4-5-12-9(11)13-8/h3-6,8,10H,2H2,1H3,(H3,11,12,13)/b7-3+,10-6+
InChIKeyMRWBXSACTAADRQ-ASVGJQBISA-N
XLogP0.77
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine?
The IUPAC name of 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine (CID 118228797) is 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine is [H]/N=C/C(=C\CC)C1C=CNC(N)=N1.
What is the InChIKey of 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine?
The InChIKey is MRWBXSACTAADRQ-ASVGJQBISA-N. The full InChI is InChI=1S/C9H14N4/c1-2-3-7(6-10)8-4-5-12-9(11)13-8/h3-6,8,10H,2H2,1H3,(H3,11,12,13)/b7-3+,10-6+.
What are the key properties of 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine?
4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine has a molecular weight of 178.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-iminopent-2-en-2-yl]-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 118228797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).