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

C11H18N4O — CID 136734039

IUPAC2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2(C)CCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-3-8-13-9(6-10(16)14-8)15-11(2)4-5-12-7-11/h6,12H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyMSKCQQNCOWAGAZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.50
Rot. Bonds3

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

2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136734039) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136734039
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2(C)CCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-3-8-13-9(6-10(16)14-8)15-11(2)4-5-12-7-11/h6,12H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyMSKCQQNCOWAGAZ-UHFFFAOYSA-N
XLogP0.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.50
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-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
2-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
2-(azetidin-3-yl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314485
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136734039) is 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CCc1nc(NC2(C)CCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is MSKCQQNCOWAGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-8-13-9(6-10(16)14-8)15-11(2)4-5-12-7-11/h6,12H,3-5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136734039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).