4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C11H18N4O — CID 136957825

IUPAC4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(N(C)C)C2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-12-10(6-11(16)13-8)15-5-4-9(7-15)14(2)3/h6,9H,4-5,7H2,1-3H3,(H,12,13,16)
InChIKeyXMJQFJLQKMPFEB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.22
Rot. Bonds2

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

4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957825) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957825
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(N(C)C)C2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-12-10(6-11(16)13-8)15-5-4-9(7-15)14(2)3/h6,9H,4-5,7H2,1-3H3,(H,12,13,16)
InChIKeyXMJQFJLQKMPFEB-UHFFFAOYSA-N
XLogP0.22
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136957825) is 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC(N(C)C)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is XMJQFJLQKMPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-12-10(6-11(16)13-8)15-5-4-9(7-15)14(2)3/h6,9H,4-5,7H2,1-3H3,(H,12,13,16).
What are the key properties of 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).