N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide

C14H23N5O — CID 106321575

IUPACN,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2nc(C)cc(NC)n2)C1
InChIInChI=1S/C14H23N5O/c1-10-7-11(15-3)18-12(17-10)8-19-6-5-14(2,9-19)13(20)16-4/h7H,5-6,8-9H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyNZVVGCHMJYHRMV-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.78
Rot. Bonds4

About N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide

N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 106321575) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID106321575
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2nc(C)cc(NC)n2)C1
InChIInChI=1S/C14H23N5O/c1-10-7-11(15-3)18-12(17-10)8-19-6-5-14(2,9-19)13(20)16-4/h7H,5-6,8-9H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyNZVVGCHMJYHRMV-UHFFFAOYSA-N
XLogP0.78
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.78
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-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide (CID 106321575) is N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(Cc2nc(C)cc(NC)n2)C1.
What is the InChIKey of N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is NZVVGCHMJYHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-7-11(15-3)18-12(17-10)8-19-6-5-14(2,9-19)13(20)16-4/h7H,5-6,8-9H2,1-4H3,(H,16,20)(H,15,17,18).
What are the key properties of N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide?
N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106321575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).