(4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one

C13H21N5O — CID 124975948

IUPAC(4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
SMILESCNCc1nc([C@@H]2CC(=O)N(C)C2)cc(N(C)C)n1
InChIInChI=1S/C13H21N5O/c1-14-7-11-15-10(6-12(16-11)17(2)3)9-5-13(19)18(4)8-9/h6,9,14H,5,7-8H2,1-4H3/t9-/m1/s1
InChIKeyLBSQIJIUGIEUNF-SECBINFHSA-N
MW263.34 g/mol
LogP0.21
Rot. Bonds4

About (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one

(4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one (PubChem CID 124975948) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
PubChem CID124975948
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
SMILESCNCc1nc([C@@H]2CC(=O)N(C)C2)cc(N(C)C)n1
InChIInChI=1S/C13H21N5O/c1-14-7-11-15-10(6-12(16-11)17(2)3)9-5-13(19)18(4)8-9/h6,9,14H,5,7-8H2,1-4H3/t9-/m1/s1
InChIKeyLBSQIJIUGIEUNF-SECBINFHSA-N
XLogP0.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one (CID 124975948) is (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one is CNCc1nc([C@@H]2CC(=O)N(C)C2)cc(N(C)C)n1.
What is the InChIKey of (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one?
The InChIKey is LBSQIJIUGIEUNF-SECBINFHSA-N. The full InChI is InChI=1S/C13H21N5O/c1-14-7-11-15-10(6-12(16-11)17(2)3)9-5-13(19)18(4)8-9/h6,9,14H,5,7-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one?
(4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 124975948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).