4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one

C15H16F2N4O3 — CID 165482098

IUPAC4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCOCC2)[nH]c(=O)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16F2N4O3/c16-14(17)24-10-3-1-9(2-4-10)11-12(18)19-15(20-13(11)22)21-5-7-23-8-6-21/h1-4,14H,5-8H2,(H3,18,19,20,22)
InChIKeyQYSCNVPOLKKHNM-UHFFFAOYSA-N
MW338.31 g/mol
LogP1.46
Rot. Bonds4

About 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one

4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 165482098) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID165482098
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC Name4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCOCC2)[nH]c(=O)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16F2N4O3/c16-14(17)24-10-3-1-9(2-4-10)11-12(18)19-15(20-13(11)22)21-5-7-23-8-6-21/h1-4,14H,5-8H2,(H3,18,19,20,22)
InChIKeyQYSCNVPOLKKHNM-UHFFFAOYSA-N
XLogP1.46
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine
CID 70300995
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001697
2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 12620074
2-morpholin-4-yl-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carbonitrile
CID 135448837
(5S)-5-(4-methoxyphenyl)-2-morpholin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135895023
[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate
CID 135894972
2-morpholin-4-yl-4-(piperidin-3-ylamino)-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
CID 136983917
N-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 42650249
2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide
CID 136983811
2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 89406605
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 144988717

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 165482098) is 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one is Nc1nc(N2CCOCC2)[nH]c(=O)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is QYSCNVPOLKKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c16-14(17)24-10-3-1-9(2-4-10)11-12(18)19-15(20-13(11)22)21-5-7-23-8-6-21/h1-4,14H,5-8H2,(H3,18,19,20,22).
What are the key properties of 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 338.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 165482098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).