3-propan-2-yl-4H-pyrimidine

C7H12N2 — CID 20641795

IUPAC3-propan-2-yl-4H-pyrimidine
SMILESCC(C)N1CC=CN=C1
InChIInChI=1S/C7H12N2/c1-7(2)9-5-3-4-8-6-9/h3-4,6-7H,5H2,1-2H3
InChIKeyCAVBLRCUDCKRBN-UHFFFAOYSA-N
MW124.18 g/mol
LogP0.60
Rot. Bonds1

About 3-propan-2-yl-4H-pyrimidine

3-propan-2-yl-4H-pyrimidine (PubChem CID 20641795) has the molecular formula C7H12N2 and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-propan-2-yl-4H-pyrimidine.

Molecular Properties

Compound Name3-propan-2-yl-4H-pyrimidine
PubChem CID20641795
Molecular FormulaC7H12N2
Molecular Weight124.18 g/mol
Exact Mass124.10
IUPAC Name3-propan-2-yl-4H-pyrimidine
SMILESCC(C)N1CC=CN=C1
InChIInChI=1S/C7H12N2/c1-7(2)9-5-3-4-8-6-9/h3-4,6-7H,5H2,1-2H3
InChIKeyCAVBLRCUDCKRBN-UHFFFAOYSA-N
XLogP0.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4H-pyrimidine?
The IUPAC name of 3-propan-2-yl-4H-pyrimidine (CID 20641795) is 3-propan-2-yl-4H-pyrimidine.
What is the SMILES notation for 3-propan-2-yl-4H-pyrimidine?
The canonical SMILES for 3-propan-2-yl-4H-pyrimidine is CC(C)N1CC=CN=C1.
What is the InChIKey of 3-propan-2-yl-4H-pyrimidine?
The InChIKey is CAVBLRCUDCKRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)9-5-3-4-8-6-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-propan-2-yl-4H-pyrimidine?
3-propan-2-yl-4H-pyrimidine has a molecular weight of 124.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4H-pyrimidine is sourced from PubChem (CID 20641795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).