N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide

C12H19N5O — CID 106322389

IUPACN,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccnc(NC)n2)C1
InChIInChI=1S/C12H19N5O/c1-12(10(18)13-2)5-7-17(8-12)9-4-6-15-11(14-3)16-9/h4,6H,5,7-8H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyMVPGNZOXBPDTEH-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.48
Rot. Bonds3

About N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide

N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 106322389) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID106322389
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccnc(NC)n2)C1
InChIInChI=1S/C12H19N5O/c1-12(10(18)13-2)5-7-17(8-12)9-4-6-15-11(14-3)16-9/h4,6H,5,7-8H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyMVPGNZOXBPDTEH-UHFFFAOYSA-N
XLogP0.48
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321026
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 106318842
N,3-dimethyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322336
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322370
1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150543
1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318499
1-(2-benzylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052513
1-(4-carbamothioyl-6-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318515
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 106322389) is N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2ccnc(NC)n2)C1.
What is the InChIKey of N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is MVPGNZOXBPDTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(10(18)13-2)5-7-17(8-12)9-4-6-15-11(14-3)16-9/h4,6H,5,7-8H2,1-3H3,(H,13,18)(H,14,15,16).
What are the key properties of N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106322389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).