(5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine

C15H25N3 — CID 123561938

IUPAC(5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine
SMILESCC/C(CC=C(C)C(C)CC)=C1/C=NC(N)=NC1
InChIInChI=1S/C15H25N3/c1-5-11(3)12(4)7-8-13(6-2)14-9-17-15(16)18-10-14/h7,9,11H,5-6,8,10H2,1-4H3,(H2,16,18)/b12-7?,14-13+
InChIKeyFCTIMCNUNBZZJV-HDFVODTASA-N
MW247.39 g/mol
LogP3.47
Rot. Bonds5

About (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine

(5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine (PubChem CID 123561938) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name(5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine
PubChem CID123561938
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine
SMILESCC/C(CC=C(C)C(C)CC)=C1/C=NC(N)=NC1
InChIInChI=1S/C15H25N3/c1-5-11(3)12(4)7-8-13(6-2)14-9-17-15(16)18-10-14/h7,9,11H,5-6,8,10H2,1-4H3,(H2,16,18)/b12-7?,14-13+
InChIKeyFCTIMCNUNBZZJV-HDFVODTASA-N
XLogP3.47
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.47
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 (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine?
The IUPAC name of (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine (CID 123561938) is (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine.
What is the SMILES notation for (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine?
The canonical SMILES for (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine is CC/C(CC=C(C)C(C)CC)=C1/C=NC(N)=NC1.
What is the InChIKey of (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine?
The InChIKey is FCTIMCNUNBZZJV-HDFVODTASA-N. The full InChI is InChI=1S/C15H25N3/c1-5-11(3)12(4)7-8-13(6-2)14-9-17-15(16)18-10-14/h7,9,11H,5-6,8,10H2,1-4H3,(H2,16,18)/b12-7?,14-13+.
What are the key properties of (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine?
(5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(6,7-dimethylnon-5-en-3-ylidene)-4H-pyrimidin-2-amine is sourced from PubChem (CID 123561938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).