2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine

C9H14N2 — CID 118281579

IUPAC2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine
SMILESC/C=C/C1=NC(C)NC(C)=C1
InChIInChI=1S/C9H14N2/c1-4-5-9-6-7(2)10-8(3)11-9/h4-6,8,10H,1-3H3/b5-4+
InChIKeyNNGKGWOBRFCFDE-SNAWJCMRSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds1

About 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine

2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine (PubChem CID 118281579) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine
PubChem CID118281579
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine
SMILESC/C=C/C1=NC(C)NC(C)=C1
InChIInChI=1S/C9H14N2/c1-4-5-9-6-7(2)10-8(3)11-9/h4-6,8,10H,1-3H3/b5-4+
InChIKeyNNGKGWOBRFCFDE-SNAWJCMRSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine?
The IUPAC name of 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine (CID 118281579) is 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine?
The canonical SMILES for 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine is C/C=C/C1=NC(C)NC(C)=C1.
What is the InChIKey of 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine?
The InChIKey is NNGKGWOBRFCFDE-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-9-6-7(2)10-8(3)11-9/h4-6,8,10H,1-3H3/b5-4+.
What are the key properties of 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine?
2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine is sourced from PubChem (CID 118281579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).