2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C10H16N4O — CID 136956425

IUPAC2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCN(C)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-7-11-9(5-10(15)12-7)13-8-3-4-14(2)6-8/h5,8H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyVZZVGTILJMUVFA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.19
Rot. Bonds2

About 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956425) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956425
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCN(C)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-7-11-9(5-10(15)12-7)13-8-3-4-14(2)6-8/h5,8H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyVZZVGTILJMUVFA-UHFFFAOYSA-N
XLogP0.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956425) is 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CCN(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VZZVGTILJMUVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-11-9(5-10(15)12-7)13-8-3-4-14(2)6-8/h5,8H,3-4,6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).