5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C18H19FN6O — CID 117078807

IUPAC5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCn1cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)cn1
InChIInChI=1S/C18H19FN6O/c1-24-12-13(10-21-24)17-16(19)11-20-18(23-17)22-14-2-4-15(5-3-14)25-6-8-26-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,20,22,23)
InChIKeyNVQJYCAXMMWTMW-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.60
Rot. Bonds4

About 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 117078807) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID117078807
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCn1cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)cn1
InChIInChI=1S/C18H19FN6O/c1-24-12-13(10-21-24)17-16(19)11-20-18(23-17)22-14-2-4-15(5-3-14)25-6-8-26-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,20,22,23)
InChIKeyNVQJYCAXMMWTMW-UHFFFAOYSA-N
XLogP2.60
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71735711
5-fluoro-4-(5-fluoro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 24889684
N-[3-[5-fluoro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1-methylindol-6-yl]prop-2-enamide
CID 164911607
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582344
N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 172590955
5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385739
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
6-[5-fluoro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile
CID 118620000
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
8-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721683

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 117078807) is 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Cn1cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)cn1.
What is the InChIKey of 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is NVQJYCAXMMWTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-24-12-13(10-21-24)17-16(19)11-20-18(23-17)22-14-2-4-15(5-3-14)25-6-8-26-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,20,22,23).
What are the key properties of 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 354.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 117078807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).