N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

C21H19ClN4O2 — CID 109247631

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cnc(NC2CC2)nc1
InChIInChI=1S/C21H19ClN4O2/c22-16-3-1-14(2-4-16)13-28-19-9-7-17(8-10-19)25-20(27)15-11-23-21(24-12-15)26-18-5-6-18/h1-4,7-12,18H,5-6,13H2,(H,25,27)(H,23,24,26)
InChIKeyPCKQMWIFDPNUTI-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.54
Rot. Bonds7

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 109247631) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID109247631
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cnc(NC2CC2)nc1
InChIInChI=1S/C21H19ClN4O2/c22-16-3-1-14(2-4-16)13-28-19-9-7-17(8-10-19)25-20(27)15-11-23-21(24-12-15)26-18-5-6-18/h1-4,7-12,18H,5-6,13H2,(H,25,27)(H,23,24,26)
InChIKeyPCKQMWIFDPNUTI-UHFFFAOYSA-N
XLogP4.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
N-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249827
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109261471
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250637
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide
CID 108992910
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263041
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
2-[[4-[(4-chlorophenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 22688975
4-N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-N-cyclopentylpyrimidine-2,4-diamine
CID 112884418

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (CID 109247631) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is O=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cnc(NC2CC2)nc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is PCKQMWIFDPNUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-16-3-1-14(2-4-16)13-28-19-9-7-17(8-10-19)25-20(27)15-11-23-21(24-12-15)26-18-5-6-18/h1-4,7-12,18H,5-6,13H2,(H,25,27)(H,23,24,26).
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).