N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C21H28N4O — CID 109249498

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C21H28N4O/c1-14(2)17-8-7-9-18(15(3)4)19(17)24-20(26)16-12-22-21(23-13-16)25-10-5-6-11-25/h7-9,12-15H,5-6,10-11H2,1-4H3,(H,24,26)
InChIKeyWWYCLKKNLRSADJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.58
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109249498) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID109249498
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C21H28N4O/c1-14(2)17-8-7-9-18(15(3)4)19(17)24-20(26)16-12-22-21(23-13-16)25-10-5-6-11-25/h7-9,12-15H,5-6,10-11H2,1-4H3,(H,24,26)
InChIKeyWWYCLKKNLRSADJ-UHFFFAOYSA-N
XLogP4.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250248
N-(2-methyl-6-propan-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 109252269
N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249509
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154591
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
CID 109263050
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 109249498) is N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is WWYCLKKNLRSADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-14(2)17-8-7-9-18(15(3)4)19(17)24-20(26)16-12-22-21(23-13-16)25-10-5-6-11-25/h7-9,12-15H,5-6,10-11H2,1-4H3,(H,24,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109249498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).