N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

C15H20FN5O2 — CID 50958508

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1cc(CN(C)c2ncc(F)c(N3CCOCC3)n2)on1
InChIInChI=1S/C15H20FN5O2/c1-3-11-8-12(23-19-11)10-20(2)15-17-9-13(16)14(18-15)21-4-6-22-7-5-21/h8-9H,3-7,10H2,1-2H3
InChIKeyVSSUMQRNLAZYEM-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.64
Rot. Bonds5

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50958508) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50958508
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1cc(CN(C)c2ncc(F)c(N3CCOCC3)n2)on1
InChIInChI=1S/C15H20FN5O2/c1-3-11-8-12(23-19-11)10-20(2)15-17-9-13(16)14(18-15)21-4-6-22-7-5-21/h8-9H,3-7,10H2,1-2H3
InChIKeyVSSUMQRNLAZYEM-UHFFFAOYSA-N
XLogP1.64
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]morpholine
CID 3233635
2-((3-ethylisoxazol-5-yl)methyl)-6-(2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl)pyridazin-3(2H)-one
CID 151864286
1-(3,5-dimethylisoxazol-4-yl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 56706097
4-Methyl-6-(4-{[(3-propylisoxazol-5-yl)methyl]amino}piperidin-1-yl)pyrimidin-2-amine
CID 72937517
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-9-pyrimidin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396334
N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113855
2-ethyl-4-{1-[(3-ethylisoxazol-5-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56861858
1-[(3-Methyl-5-isoxazolyl)methyl]-8-(2-pyrimidinyl)-1,8-diazaspiro[4.5]decane
CID 70755417
N,N-dimethyl-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 86773232
(3S)-1-[2-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95124014
6-ethyl-5-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
CID 121583028
1-(3-isobutylisoxazol-5-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 131900857

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (CID 50958508) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is CCc1cc(CN(C)c2ncc(F)c(N3CCOCC3)n2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is VSSUMQRNLAZYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-3-11-8-12(23-19-11)10-20(2)15-17-9-13(16)14(18-15)21-4-6-22-7-5-21/h8-9H,3-7,10H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 321.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50958508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).