2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C9H12N2O2 — CID 69036279

IUPAC2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CC2)[nH]c1=O
InChIInChI=1S/C9H12N2O2/c1-5-8(12)10-7(11-9(5)13)4-6-2-3-6/h6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyAMIOGOLQIWAEIY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.74
Rot. Bonds2

About 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 69036279) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID69036279
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC2CC2)[nH]c1=O
InChIInChI=1S/C9H12N2O2/c1-5-8(12)10-7(11-9(5)13)4-6-2-3-6/h6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyAMIOGOLQIWAEIY-UHFFFAOYSA-N
XLogP0.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 69036279) is 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(CC2CC2)[nH]c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is AMIOGOLQIWAEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-8(12)10-7(11-9(5)13)4-6-2-3-6/h6H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 69036279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).