N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide

C13H21N5O — CID 106322506

IUPACN,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ncnc(NC)c2C)C1
InChIInChI=1S/C13H21N5O/c1-9-10(14-3)16-8-17-11(9)18-6-5-13(2,7-18)12(19)15-4/h8H,5-7H2,1-4H3,(H,15,19)(H,14,16,17)
InChIKeyOOXBQSFHEJJMLX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.79
Rot. Bonds3

About N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide

N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 106322506) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID106322506
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ncnc(NC)c2C)C1
InChIInChI=1S/C13H21N5O/c1-9-10(14-3)16-8-17-11(9)18-6-5-13(2,7-18)12(19)15-4/h8H,5-7H2,1-4H3,(H,15,19)(H,14,16,17)
InChIKeyOOXBQSFHEJJMLX-UHFFFAOYSA-N
XLogP0.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 106322506) is N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2ncnc(NC)c2C)C1.
What is the InChIKey of N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is OOXBQSFHEJJMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-10(14-3)16-8-17-11(9)18-6-5-13(2,7-18)12(19)15-4/h8H,5-7H2,1-4H3,(H,15,19)(H,14,16,17).
What are the key properties of N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.79, 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-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106322506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).