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

C19H17FN6O3 — CID 89422461

IUPAC6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESNCC(C=O)Nc1cc(C(N)=O)nc(-c2ccnc(Oc3ccc(F)cc3)c2)n1
InChIInChI=1S/C19H17FN6O3/c20-12-1-3-14(4-2-12)29-17-7-11(5-6-23-17)19-25-15(18(22)28)8-16(26-19)24-13(9-21)10-27/h1-8,10,13H,9,21H2,(H2,22,28)(H,24,25,26)
InChIKeyONEMRQNRMAXSOK-UHFFFAOYSA-N
MW396.38 g/mol
LogP1.51
Rot. Bonds8

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

6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 89422461) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide
PubChem CID89422461
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESNCC(C=O)Nc1cc(C(N)=O)nc(-c2ccnc(Oc3ccc(F)cc3)c2)n1
InChIInChI=1S/C19H17FN6O3/c20-12-1-3-14(4-2-12)29-17-7-11(5-6-23-17)19-25-15(18(22)28)8-16(26-19)24-13(9-21)10-27/h1-8,10,13H,9,21H2,(H2,22,28)(H,24,25,26)
InChIKeyONEMRQNRMAXSOK-UHFFFAOYSA-N
XLogP1.51
TPSA146.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

6-[(1-amino-1-hydroxypropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide
CID 123471910
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 89422805
methyl 2-[[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]amino]propanoate
CID 71283438
6-[(2S)-1-amino-3-oxopropan-2-yl]oxy-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 89422524
2-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-6-[[(2S)-3-oxobutan-2-yl]amino]pyrimidine-4-carboxamide
CID 118653207
6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 123338256
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 90390691
6-[(2-amino-2-oxoethyl)amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 71283530
6-[[(2S)-1-amino-3-oxopropan-2-yl]amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]pyrimidine-4-carboxamide
CID 90390318
6-[(1-amino-1-oxopropan-2-yl)amino]-2-[3-carbamoyl-4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 90390161
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-(4-fluorophenoxy)-3-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide
CID 71283644
2-[4-(4-fluorophenoxy)phenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 130181617

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide (CID 89422461) is 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide is NCC(C=O)Nc1cc(C(N)=O)nc(-c2ccnc(Oc3ccc(F)cc3)c2)n1.
What is the InChIKey of 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is ONEMRQNRMAXSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c20-12-1-3-14(4-2-12)29-17-7-11(5-6-23-17)19-25-15(18(22)28)8-16(26-19)24-13(9-21)10-27/h1-8,10,13H,9,21H2,(H2,22,28)(H,24,25,26).
What are the key properties of 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide?
6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 396.38 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-3-oxopropan-2-yl)amino]-2-[2-(4-fluorophenoxy)-4-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89422461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).