1-propan-2-yl-5,6-dihydro-4H-pyrimidine

C7H14N2 — CID 54331072

IUPAC1-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCC(C)N1C=NCCC1
InChIInChI=1S/C7H14N2/c1-7(2)9-5-3-4-8-6-9/h6-7H,3-5H2,1-2H3
InChIKeyKMIHOANUUNSEJZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.13
Rot. Bonds1

About 1-propan-2-yl-5,6-dihydro-4H-pyrimidine

1-propan-2-yl-5,6-dihydro-4H-pyrimidine (PubChem CID 54331072) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-propan-2-yl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-propan-2-yl-5,6-dihydro-4H-pyrimidine
PubChem CID54331072
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCC(C)N1C=NCCC1
InChIInChI=1S/C7H14N2/c1-7(2)9-5-3-4-8-6-9/h6-7H,3-5H2,1-2H3
InChIKeyKMIHOANUUNSEJZ-UHFFFAOYSA-N
XLogP1.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-pyrimidine (CID 54331072) is 1-propan-2-yl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-propan-2-yl-5,6-dihydro-4H-pyrimidine is CC(C)N1C=NCCC1.
What is the InChIKey of 1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The InChIKey is KMIHOANUUNSEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)9-5-3-4-8-6-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
1-propan-2-yl-5,6-dihydro-4H-pyrimidine has a molecular weight of 126.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 54331072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).