2-propan-2-yl-1,4-dihydropyrimidin-6-ol

C7H12N2O — CID 173444800

IUPAC2-propan-2-yl-1,4-dihydropyrimidin-6-ol
SMILESCC(C)C1=NCC=C(O)N1
InChIInChI=1S/C7H12N2O/c1-5(2)7-8-4-3-6(10)9-7/h3,5,10H,4H2,1-2H3,(H,8,9)
InChIKeyOLXTZWRBKOGLPL-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.04
Rot. Bonds1

About 2-propan-2-yl-1,4-dihydropyrimidin-6-ol

2-propan-2-yl-1,4-dihydropyrimidin-6-ol (PubChem CID 173444800) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-propan-2-yl-1,4-dihydropyrimidin-6-ol.

Molecular Properties

Compound Name2-propan-2-yl-1,4-dihydropyrimidin-6-ol
PubChem CID173444800
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-propan-2-yl-1,4-dihydropyrimidin-6-ol
SMILESCC(C)C1=NCC=C(O)N1
InChIInChI=1S/C7H12N2O/c1-5(2)7-8-4-3-6(10)9-7/h3,5,10H,4H2,1-2H3,(H,8,9)
InChIKeyOLXTZWRBKOGLPL-UHFFFAOYSA-N
XLogP1.04
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,4-dihydropyrimidin-6-ol?
The IUPAC name of 2-propan-2-yl-1,4-dihydropyrimidin-6-ol (CID 173444800) is 2-propan-2-yl-1,4-dihydropyrimidin-6-ol.
What is the SMILES notation for 2-propan-2-yl-1,4-dihydropyrimidin-6-ol?
The canonical SMILES for 2-propan-2-yl-1,4-dihydropyrimidin-6-ol is CC(C)C1=NCC=C(O)N1.
What is the InChIKey of 2-propan-2-yl-1,4-dihydropyrimidin-6-ol?
The InChIKey is OLXTZWRBKOGLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)7-8-4-3-6(10)9-7/h3,5,10H,4H2,1-2H3,(H,8,9).
What are the key properties of 2-propan-2-yl-1,4-dihydropyrimidin-6-ol?
2-propan-2-yl-1,4-dihydropyrimidin-6-ol has a molecular weight of 140.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,4-dihydropyrimidin-6-ol is sourced from PubChem (CID 173444800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).