2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C9H14N4O — CID 136572862

IUPAC2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCN1c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H14N4O/c1-6-3-2-4-13(6)7-5-8(14)12-9(10)11-7/h5-6H,2-4H2,1H3,(H3,10,11,12,14)
InChIKeyNBSGDLHHFWELEP-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.34
Rot. Bonds1

About 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one

2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136572862) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136572862
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCN1c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H14N4O/c1-6-3-2-4-13(6)7-5-8(14)12-9(10)11-7/h5-6H,2-4H2,1H3,(H3,10,11,12,14)
InChIKeyNBSGDLHHFWELEP-UHFFFAOYSA-N
XLogP0.34
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136572862) is 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CC1CCCN1c1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is NBSGDLHHFWELEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-3-2-4-13(6)7-5-8(14)12-9(10)11-7/h5-6H,2-4H2,1H3,(H3,10,11,12,14).
What are the key properties of 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136572862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).