1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide

C13H21N5O — CID 106317751

IUPAC1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(C)cc(CN)n2)C1
InChIInChI=1S/C13H21N5O/c1-9-6-10(7-14)17-12(16-9)18-5-4-13(2,8-18)11(19)15-3/h6H,4-5,7-8,14H2,1-3H3,(H,15,19)
InChIKeyUPSKJDVYGHCQFK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.21
Rot. Bonds3

About 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317751) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317751
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(C)cc(CN)n2)C1
InChIInChI=1S/C13H21N5O/c1-9-6-10(7-14)17-12(16-9)18-5-4-13(2,8-18)11(19)15-3/h6H,4-5,7-8,14H2,1-3H3,(H,15,19)
InChIKeyUPSKJDVYGHCQFK-UHFFFAOYSA-N
XLogP0.21
TPSA84.14 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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-carbamothioyl-6-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318515
1-[4-(aminomethyl)-2-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319231
[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541667
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321611
1-[4-(aminomethyl)-3-bromophenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317727
1-[4-(aminomethyl)-2,3-difluorophenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317750
1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322588
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322370
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321034
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322432

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317751) is 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(C)cc(CN)n2)C1.
What is the InChIKey of 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is UPSKJDVYGHCQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-6-10(7-14)17-12(16-9)18-5-4-13(2,8-18)11(19)15-3/h6H,4-5,7-8,14H2,1-3H3,(H,15,19).
What are the key properties of 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).