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

C14H20FN5O2 — CID 50949745

IUPACN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCC1=NOC(CNc2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C14H20FN5O2/c1-2-10-7-11(22-19-10)8-16-14-17-9-12(15)13(18-14)20-3-5-21-6-4-20/h9,11H,2-8H2,1H3,(H,16,17,18)
InChIKeyDLGINYMFUJJPTP-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.42
Rot. Bonds5

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

N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50949745) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50949745
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC NameN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCC1=NOC(CNc2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C14H20FN5O2/c1-2-10-7-11(22-19-10)8-16-14-17-9-12(15)13(18-14)20-3-5-21-6-4-20/h9,11H,2-8H2,1H3,(H,16,17,18)
InChIKeyDLGINYMFUJJPTP-UHFFFAOYSA-N
XLogP1.42
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56866727
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-(2,2-difluoroethyl)-5-fluoro-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidin-4-amine
CID 132317114
5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
CID 171359687
5-Fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80764372
5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 80766838
5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 80777963
4-(2-Ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine
CID 80787148
5-fluoro-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 141468176
4-(3-But-2-ynoxy-2,6-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 141614985
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine
CID 169200516

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 50949745) is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is CCC1=NOC(CNc2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is DLGINYMFUJJPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-2-10-7-11(22-19-10)8-16-14-17-9-12(15)13(18-14)20-3-5-21-6-4-20/h9,11H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 309.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50949745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).