5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine

C12H18N2 — CID 170013042

IUPAC5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine
SMILESC=C/C=C\C(C)C1C=NC(C)=NC1C
InChIInChI=1S/C12H18N2/c1-5-6-7-9(2)12-8-13-11(4)14-10(12)3/h5-10,12H,1H2,2-4H3/b7-6-
InChIKeyQHSDWSOWTRVSQT-SREVYHEPSA-N
MW190.29 g/mol
LogP2.87
Rot. Bonds3

About 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine

5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine (PubChem CID 170013042) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine
PubChem CID170013042
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine
SMILESC=C/C=C\C(C)C1C=NC(C)=NC1C
InChIInChI=1S/C12H18N2/c1-5-6-7-9(2)12-8-13-11(4)14-10(12)3/h5-10,12H,1H2,2-4H3/b7-6-
InChIKeyQHSDWSOWTRVSQT-SREVYHEPSA-N
XLogP2.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine?
The IUPAC name of 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine (CID 170013042) is 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine.
What is the SMILES notation for 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine?
The canonical SMILES for 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine is C=C/C=C\C(C)C1C=NC(C)=NC1C.
What is the InChIKey of 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine?
The InChIKey is QHSDWSOWTRVSQT-SREVYHEPSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-6-7-9(2)12-8-13-11(4)14-10(12)3/h5-10,12H,1H2,2-4H3/b7-6-.
What are the key properties of 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine?
5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine has a molecular weight of 190.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine is sourced from PubChem (CID 170013042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).