5-propan-2-yl-1,2-dihydropyrimidine

C7H12N2 — CID 90392407

IUPAC5-propan-2-yl-1,2-dihydropyrimidine
SMILESCC(C)C1=CNCN=C1
InChIInChI=1S/C7H12N2/c1-6(2)7-3-8-5-9-4-7/h3-4,6,8H,5H2,1-2H3
InChIKeyCNCWUDHYUGKHTN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.16
Rot. Bonds1

About 5-propan-2-yl-1,2-dihydropyrimidine

5-propan-2-yl-1,2-dihydropyrimidine (PubChem CID 90392407) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-propan-2-yl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-1,2-dihydropyrimidine
PubChem CID90392407
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-propan-2-yl-1,2-dihydropyrimidine
SMILESCC(C)C1=CNCN=C1
InChIInChI=1S/C7H12N2/c1-6(2)7-3-8-5-9-4-7/h3-4,6,8H,5H2,1-2H3
InChIKeyCNCWUDHYUGKHTN-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2-dihydropyrimidine?
The IUPAC name of 5-propan-2-yl-1,2-dihydropyrimidine (CID 90392407) is 5-propan-2-yl-1,2-dihydropyrimidine.
What is the SMILES notation for 5-propan-2-yl-1,2-dihydropyrimidine?
The canonical SMILES for 5-propan-2-yl-1,2-dihydropyrimidine is CC(C)C1=CNCN=C1.
What is the InChIKey of 5-propan-2-yl-1,2-dihydropyrimidine?
The InChIKey is CNCWUDHYUGKHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)7-3-8-5-9-4-7/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,2-dihydropyrimidine?
5-propan-2-yl-1,2-dihydropyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2-dihydropyrimidine is sourced from PubChem (CID 90392407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).