N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C18H22N4O2 — CID 109249470

IUPACN-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C18H22N4O2/c1-13(2)24-16-8-4-3-7-15(16)21-17(23)14-11-19-18(20-12-14)22-9-5-6-10-22/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyPAYJICSXSLWDTM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.12
Rot. Bonds5

About N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109249470) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID109249470
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C18H22N4O2/c1-13(2)24-16-8-4-3-7-15(16)21-17(23)14-11-19-18(20-12-14)22-9-5-6-10-22/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyPAYJICSXSLWDTM-UHFFFAOYSA-N
XLogP3.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109254832
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
4-piperidin-1-yl-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109204673
6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109152560
5-(piperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109102949
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109250266
N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254553
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 109249470) is N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is PAYJICSXSLWDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)24-16-8-4-3-7-15(16)21-17(23)14-11-19-18(20-12-14)22-9-5-6-10-22/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109249470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).