4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide

C20H26N4O2 — CID 125022123

IUPAC4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
SMILESCOCc1ccc(C(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)cc1
InChIInChI=1S/C20H26N4O2/c1-14-21-11-17(19(23-14)18-5-4-10-24(18)2)12-22-20(25)16-8-6-15(7-9-16)13-26-3/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyYOJWYUPIDSCLFX-GOSISDBHSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds6

About 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide

4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide (PubChem CID 125022123) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
PubChem CID125022123
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
SMILESCOCc1ccc(C(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)cc1
InChIInChI=1S/C20H26N4O2/c1-14-21-11-17(19(23-14)18-5-4-10-24(18)2)12-22-20(25)16-8-6-15(7-9-16)13-26-3/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyYOJWYUPIDSCLFX-GOSISDBHSA-N
XLogP2.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide (CID 125022123) is 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide is COCc1ccc(C(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide?
The InChIKey is YOJWYUPIDSCLFX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-21-11-17(19(23-14)18-5-4-10-24(18)2)12-22-20(25)16-8-6-15(7-9-16)13-26-3/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide?
4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide is sourced from PubChem (CID 125022123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).