4-cyclopropyl-6-methyl-1,2-dihydropyrimidine

C8H12N2 — CID 118486712

IUPAC4-cyclopropyl-6-methyl-1,2-dihydropyrimidine
SMILESCC1=CC(C2CC2)=NCN1
InChIInChI=1S/C8H12N2/c1-6-4-8(7-2-3-7)10-5-9-6/h4,7,9H,2-3,5H2,1H3
InChIKeyJELKFDDIKHDAOB-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.30
Rot. Bonds1

About 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine

4-cyclopropyl-6-methyl-1,2-dihydropyrimidine (PubChem CID 118486712) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-1,2-dihydropyrimidine
PubChem CID118486712
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-cyclopropyl-6-methyl-1,2-dihydropyrimidine
SMILESCC1=CC(C2CC2)=NCN1
InChIInChI=1S/C8H12N2/c1-6-4-8(7-2-3-7)10-5-9-6/h4,7,9H,2-3,5H2,1H3
InChIKeyJELKFDDIKHDAOB-UHFFFAOYSA-N
XLogP1.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine?
The IUPAC name of 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine (CID 118486712) is 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine?
The canonical SMILES for 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine is CC1=CC(C2CC2)=NCN1.
What is the InChIKey of 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine?
The InChIKey is JELKFDDIKHDAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-4-8(7-2-3-7)10-5-9-6/h4,7,9H,2-3,5H2,1H3.
What are the key properties of 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine?
4-cyclopropyl-6-methyl-1,2-dihydropyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-1,2-dihydropyrimidine is sourced from PubChem (CID 118486712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).