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

C13H21N5O — CID 106321611

IUPAC1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2nc(C)cc(N)n2)C1
InChIInChI=1S/C13H21N5O/c1-9-6-10(14)17-11(16-9)7-18-5-4-13(2,8-18)12(19)15-3/h6H,4-5,7-8H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyUEHBBIFDPCBFSD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.33
Rot. Bonds3

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

1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321611) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321611
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2nc(C)cc(N)n2)C1
InChIInChI=1S/C13H21N5O/c1-9-6-10(14)17-11(16-9)7-18-5-4-13(2,8-18)12(19)15-3/h6H,4-5,7-8H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyUEHBBIFDPCBFSD-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide
CID 106321575
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 114082473
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114218082
1-[(3-amino-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317866
1-[(4-hydrazinyl-2-pyridinyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321690
1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317846
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317751
1-[[3-(aminomethyl)-5-fluorophenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317892
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
5-methyl-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 106318975
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317864
1-[(3-bromo-4-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150971

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321611) is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(Cc2nc(C)cc(N)n2)C1.
What is the InChIKey of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is UEHBBIFDPCBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-6-10(14)17-11(16-9)7-18-5-4-13(2,8-18)12(19)15-3/h6H,4-5,7-8H2,1-3H3,(H,15,19)(H2,14,16,17).
What are the key properties of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).