2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide

C17H23N7O — CID 110272187

IUPAC2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(C2(C)CCCN2c2cc(C)nc(N)n2)n1
InChIInChI=1S/C17H23N7O/c1-10-8-12(14(25)19-4)22-15(20-10)17(3)6-5-7-24(17)13-9-11(2)21-16(18)23-13/h8-9H,5-7H2,1-4H3,(H,19,25)(H2,18,21,23)
InChIKeyYVBOGQLAIZHBMN-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.34
Rot. Bonds3

About 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide

2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110272187) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID110272187
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(C2(C)CCCN2c2cc(C)nc(N)n2)n1
InChIInChI=1S/C17H23N7O/c1-10-8-12(14(25)19-4)22-15(20-10)17(3)6-5-7-24(17)13-9-11(2)21-16(18)23-13/h8-9H,5-7H2,1-4H3,(H,19,25)(H2,18,21,23)
InChIKeyYVBOGQLAIZHBMN-UHFFFAOYSA-N
XLogP1.34
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide (CID 110272187) is 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide is CNC(=O)c1cc(C)nc(C2(C)CCCN2c2cc(C)nc(N)n2)n1.
What is the InChIKey of 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is YVBOGQLAIZHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10-8-12(14(25)19-4)22-15(20-10)17(3)6-5-7-24(17)13-9-11(2)21-16(18)23-13/h8-9H,5-7H2,1-4H3,(H,19,25)(H2,18,21,23).
What are the key properties of 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide?
2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-6-methylpyrimidin-4-yl)-2-methylpyrrolidin-2-yl]-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110272187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).