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

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Related Compounds

6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
CID 110117377
3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124970354
2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125022456
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124947769
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124939653
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 124976141
2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125008457
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 125019389
N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide
CID 155983693
4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide
CID 125018109
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 124949611
5-tert-butyl-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-pyrazole-3-carboxamide
CID 110117354

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).