6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide

C19H18ClN7O3 — CID 89422696

IUPAC6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide
SMILESNCC(C=O)Nc1cc(C(N)=O)nc(Oc2ccc(Cl)cc2-c2ccnc(N)c2)n1
InChIInChI=1S/C19H18ClN7O3/c20-11-1-2-15(13(6-11)10-3-4-24-16(22)5-10)30-19-26-14(18(23)29)7-17(27-19)25-12(8-21)9-28/h1-7,9,12H,8,21H2,(H2,22,24)(H2,23,29)(H,25,26,27)
InChIKeyHYWBTFSMTVEXMD-UHFFFAOYSA-N
MW427.85 g/mol
LogP1.60
Rot. Bonds8

About 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide

6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide (PubChem CID 89422696) has the molecular formula C19H18ClN7O3 and a molecular weight of 427.85 g/mol. Its IUPAC name is 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide
PubChem CID89422696
Molecular FormulaC19H18ClN7O3
Molecular Weight427.85 g/mol
Exact Mass427.12
IUPAC Name6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide
SMILESNCC(C=O)Nc1cc(C(N)=O)nc(Oc2ccc(Cl)cc2-c2ccnc(N)c2)n1
InChIInChI=1S/C19H18ClN7O3/c20-11-1-2-15(13(6-11)10-3-4-24-16(22)5-10)30-19-26-14(18(23)29)7-17(27-19)25-12(8-21)9-28/h1-7,9,12H,8,21H2,(H2,22,24)(H2,23,29)(H,25,26,27)
InChIKeyHYWBTFSMTVEXMD-UHFFFAOYSA-N
XLogP1.60
TPSA172.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-[[2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-6-carbamoylpyrimidin-4-yl]amino]-5-[[6-carbamoyl-2-[4-(4-cyanophenoxy)-5-methylcyclohexa-1,3-dien-1-yl]pyrimidin-4-yl]amino]hexanediamide
CID 123983565
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide
CID 89422461
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 89422805
6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]pyrimidine-4-carboxamide
CID 90390318
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide
CID 71718110
6-[(2S)-1-amino-3-oxopropan-2-yl]oxy-2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 89422495
2-[4-(5-chloro-2-fluorophenoxy)phenyl]-6-[[(2S)-3-oxobutan-2-yl]amino]pyrimidine-4-carboxamide
CID 118653171
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716313
1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide
CID 171779048
4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839
N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide
CID 4749356
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide (CID 89422696) is 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide is NCC(C=O)Nc1cc(C(N)=O)nc(Oc2ccc(Cl)cc2-c2ccnc(N)c2)n1.
What is the InChIKey of 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide?
The InChIKey is HYWBTFSMTVEXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O3/c20-11-1-2-15(13(6-11)10-3-4-24-16(22)5-10)30-19-26-14(18(23)29)7-17(27-19)25-12(8-21)9-28/h1-7,9,12H,8,21H2,(H2,22,24)(H2,23,29)(H,25,26,27).
What are the key properties of 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide?
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide has a molecular weight of 427.85 g/mol, XLogP of 1.60, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 89422696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).