N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide

C18H22N4O2 — CID 125004401

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2)nc1C
InChIInChI=1S/C18H22N4O2/c1-12-14(11-20-17(22-12)15-7-5-9-19-15)18(23)21-10-13-6-3-4-8-16(13)24-2/h3-4,6,8,11,15,19H,5,7,9-10H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeySYFMFTQAFXEDMU-OAHLLOKOSA-N
MW326.40 g/mol
LogP2.15
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide

N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 125004401) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
PubChem CID125004401
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2)nc1C
InChIInChI=1S/C18H22N4O2/c1-12-14(11-20-17(22-12)15-7-5-9-19-15)18(23)21-10-13-6-3-4-8-16(13)24-2/h3-4,6,8,11,15,19H,5,7,9-10H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeySYFMFTQAFXEDMU-OAHLLOKOSA-N
XLogP2.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92640366
2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 175659966
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92640390
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247517
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 95805899
N-[(2-methoxyphenyl)methyl]-2-(3-methylpiperidin-2-yl)acetamide
CID 107147406
5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155964980
N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637215
2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide
CID 175660200
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 113200156

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide (CID 125004401) is N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2)nc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is SYFMFTQAFXEDMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-14(11-20-17(22-12)15-7-5-9-19-15)18(23)21-10-13-6-3-4-8-16(13)24-2/h3-4,6,8,11,15,19H,5,7,9-10H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 125004401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).