5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine

C10H14N4 — CID 129310510

IUPAC5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine
SMILESC=C(/C=C\C=C/N)C1=CNC(N)=NC1
InChIInChI=1S/C10H14N4/c1-8(4-2-3-5-11)9-6-13-10(12)14-7-9/h2-6H,1,7,11H2,(H3,12,13,14)/b4-2-,5-3-
InChIKeyPMVNPBCRKIHDMC-JVLMNHKTSA-N
MW190.25 g/mol
LogP0.37
Rot. Bonds3

About 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine

5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine (PubChem CID 129310510) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine
PubChem CID129310510
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine
SMILESC=C(/C=C\C=C/N)C1=CNC(N)=NC1
InChIInChI=1S/C10H14N4/c1-8(4-2-3-5-11)9-6-13-10(12)14-7-9/h2-6H,1,7,11H2,(H3,12,13,14)/b4-2-,5-3-
InChIKeyPMVNPBCRKIHDMC-JVLMNHKTSA-N
XLogP0.37
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine?
The IUPAC name of 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine (CID 129310510) is 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine is C=C(/C=C\C=C/N)C1=CNC(N)=NC1.
What is the InChIKey of 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine?
The InChIKey is PMVNPBCRKIHDMC-JVLMNHKTSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(4-2-3-5-11)9-6-13-10(12)14-7-9/h2-6H,1,7,11H2,(H3,12,13,14)/b4-2-,5-3-.
What are the key properties of 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine?
5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine has a molecular weight of 190.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 129310510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).