N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

C16H15ClF2N4O3 — CID 139021619

IUPACN-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C16H15ClF2N4O3/c17-11-2-1-10(7-13(11)26-16(18)19)22-15(24)12-8-14(21-9-20-12)23-3-5-25-6-4-23/h1-2,7-9,16H,3-6H2,(H,22,24)
InChIKeyQEIQSPFXGZOUQH-UHFFFAOYSA-N
MW384.77 g/mol
LogP2.82
Rot. Bonds5

About N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 139021619) has the molecular formula C16H15ClF2N4O3 and a molecular weight of 384.77 g/mol. Its IUPAC name is N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID139021619
Molecular FormulaC16H15ClF2N4O3
Molecular Weight384.77 g/mol
Exact Mass384.08
IUPAC NameN-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C16H15ClF2N4O3/c17-11-2-1-10(7-13(11)26-16(18)19)22-15(24)12-8-14(21-9-20-12)23-3-5-25-6-4-23/h1-2,7-9,16H,3-6H2,(H,22,24)
InChIKeyQEIQSPFXGZOUQH-UHFFFAOYSA-N
XLogP2.82
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343519
6-morpholin-4-yl-N-quinolin-6-ylpyrimidine-4-carboxamide
CID 91816462
6-morpholin-4-yl-N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91816399
2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
CID 90544210
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
N-[3-chloro-4-(fluoromethyl)phenyl]-2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129091394
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345645
N-(3-chloro-4-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352530
N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 154843375
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 139021619) is N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is QEIQSPFXGZOUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O3/c17-11-2-1-10(7-13(11)26-16(18)19)22-15(24)12-8-14(21-9-20-12)23-3-5-25-6-4-23/h1-2,7-9,16H,3-6H2,(H,22,24).
What are the key properties of N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 384.77 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 139021619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).