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

C10H16N4O — CID 136734046

IUPAC2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2(C)CCNC2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-7-12-8(5-9(15)13-7)14-10(2)3-4-11-6-10/h5,11H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyFXRSNWRZMKRRQA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.24
Rot. Bonds2

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

2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136734046) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136734046
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2(C)CCNC2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-7-12-8(5-9(15)13-7)14-10(2)3-4-11-6-10/h5,11H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyFXRSNWRZMKRRQA-UHFFFAOYSA-N
XLogP0.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956171
2-ethyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974111
2-(Aminomethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84676229
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
2-(2-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687779
2-(3-aminopropyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314514
2-(aminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136316791
4-(dimethylamino)-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136326816
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
2-(2-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326818
4-pyrrolidin-1-yl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136345035
4-amino-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136377057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136734046) is 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2(C)CCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FXRSNWRZMKRRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-12-8(5-9(15)13-7)14-10(2)3-4-11-6-10/h5,11H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136734046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).