N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C18H22N4O3 — CID 20959370

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C18H22N4O3/c1-24-15-5-6-16(25-2)13(9-15)10-19-17(23)14-11-20-18(21-12-14)22-7-3-4-8-22/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,23)
InChIKeyYEMRMIIFLDGPML-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.02
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20959370) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20959370
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C18H22N4O3/c1-24-15-5-6-16(25-2)13(9-15)10-19-17(23)14-11-20-18(21-12-14)22-7-3-4-8-22/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,23)
InChIKeyYEMRMIIFLDGPML-UHFFFAOYSA-N
XLogP2.02
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138994491
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250135
2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109254161
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 25497365
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145746
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carboxamide
CID 166709056

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20959370) is N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is COc1ccc(OC)c(CNC(=O)c2cnc(N3CCCC3)nc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is YEMRMIIFLDGPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-15-5-6-16(25-2)13(9-15)10-19-17(23)14-11-20-18(21-12-14)22-7-3-4-8-22/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).