6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide

C20H16ClFN4O4 — CID 71283327

IUPAC6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
SMILESCC(Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1)C(N)=O
InChIInChI=1S/C20H16ClFN4O4/c1-10(18(23)27)29-17-9-15(19(24)28)25-20(26-17)11-2-5-13(6-3-11)30-16-7-4-12(21)8-14(16)22/h2-10H,1H3,(H2,23,27)(H2,24,28)
InChIKeyTZZDBEDTIJHZJP-UHFFFAOYSA-N
MW430.82 g/mol
LogP3.08
Rot. Bonds7

About 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide

6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 71283327) has the molecular formula C20H16ClFN4O4 and a molecular weight of 430.82 g/mol. Its IUPAC name is 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID71283327
Molecular FormulaC20H16ClFN4O4
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC Name6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
SMILESCC(Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1)C(N)=O
InChIInChI=1S/C20H16ClFN4O4/c1-10(18(23)27)29-17-9-15(19(24)28)25-20(26-17)11-2-5-13(6-3-11)30-16-7-4-12(21)8-14(16)22/h2-10H,1H3,(H2,23,27)(H2,24,28)
InChIKeyTZZDBEDTIJHZJP-UHFFFAOYSA-N
XLogP3.08
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.82
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2S)-1-amino-3-oxopropan-2-yl]oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 89422495
6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide
CID 90390000
6-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
CID 85470004
6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
CID 90390139
2-[4-(5-chloro-2-fluorophenoxy)phenyl]-6-[[(2S)-3-oxobutan-2-yl]amino]pyrimidine-4-carboxamide
CID 118653171
2-[4-(4-chloro-2-fluorophenoxy)phenyl]-6-(2-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 155393255
6-[(2S)-1-amino-3-oxopropan-2-yl]oxy-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 89422524
ethyl 2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxylate
CID 11689277
6-[(2S)-1-amino-4-hydroxy-3,3-dimethyl-1-oxobutan-2-yl]oxy-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 85470230
6-[(1-amino-1-oxopropan-2-yl)amino]-2-[3-carbamoyl-4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 90390161
6-(1-amino-3-oxopropan-2-yl)oxy-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 89422631
6-propoxy-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 90399213

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide (CID 71283327) is 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide is CC(Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1)C(N)=O.
What is the InChIKey of 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is TZZDBEDTIJHZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O4/c1-10(18(23)27)29-17-9-15(19(24)28)25-20(26-17)11-2-5-13(6-3-11)30-16-7-4-12(21)8-14(16)22/h2-10H,1H3,(H2,23,27)(H2,24,28).
What are the key properties of 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide?
6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 430.82 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71283327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).