N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine

C14H14F2N4O — CID 172590955

IUPACN,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESFNc1ncc(F)c(-c2cccc(N3CCOCC3)c2)n1
InChIInChI=1S/C14H14F2N4O/c15-12-9-17-14(19-16)18-13(12)10-2-1-3-11(8-10)20-4-6-21-7-5-20/h1-3,8-9H,4-7H2,(H,17,18,19)
InChIKeyVOVNFSMJDKXFBF-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.42
Rot. Bonds3

About N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine

N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 172590955) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID172590955
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESFNc1ncc(F)c(-c2cccc(N3CCOCC3)c2)n1
InChIInChI=1S/C14H14F2N4O/c15-12-9-17-14(19-16)18-13(12)10-2-1-3-11(8-10)20-4-6-21-7-5-20/h1-3,8-9H,4-7H2,(H,17,18,19)
InChIKeyVOVNFSMJDKXFBF-UHFFFAOYSA-N
XLogP2.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 172591924
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
N-[3-cyano-5-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118361728
cis-(1R,3S)-3-[[5-fluoro-4-[3-(3-oxomorpholin-4-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172591784
4-[[5-fluoro-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 172592733
6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353808
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
N-[5-[5-anilino-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-2-fluorophenyl]prop-2-enamide
CID 118361590
N-[2-fluoro-5-[2-(3-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118361535
4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine
CID 123186348
4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine
CID 174954030

Frequently Asked Questions

What is the IUPAC name of N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 172590955) is N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine is FNc1ncc(F)c(-c2cccc(N3CCOCC3)c2)n1.
What is the InChIKey of N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is VOVNFSMJDKXFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c15-12-9-17-14(19-16)18-13(12)10-2-1-3-11(8-10)20-4-6-21-7-5-20/h1-3,8-9H,4-7H2,(H,17,18,19).
What are the key properties of N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 292.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 172590955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).