(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

C14H19FN6O — CID 129332145

IUPAC(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1ncnc(N2CCO[C@H](c3nncn3CC)C2)c1F
InChIInChI=1S/C14H19FN6O/c1-3-10-12(15)14(17-8-16-10)21-5-6-22-11(7-21)13-19-18-9-20(13)4-2/h8-9,11H,3-7H2,1-2H3/t11-/m0/s1
InChIKeyKKYXTIJWHPDNGN-NSHDSACASA-N
MW306.35 g/mol
LogP1.37
Rot. Bonds4

About (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129332145) has the molecular formula C14H19FN6O and a molecular weight of 306.35 g/mol. Its IUPAC name is (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129332145
Molecular FormulaC14H19FN6O
Molecular Weight306.35 g/mol
Exact Mass306.16
IUPAC Name(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1ncnc(N2CCO[C@H](c3nncn3CC)C2)c1F
InChIInChI=1S/C14H19FN6O/c1-3-10-12(15)14(17-8-16-10)21-5-6-22-11(7-21)13-19-18-9-20(13)4-2/h8-9,11H,3-7H2,1-2H3/t11-/m0/s1
InChIKeyKKYXTIJWHPDNGN-NSHDSACASA-N
XLogP1.37
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
CID 129329476
2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
CID 103880094
2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
CID 129001083
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332069
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 129334871
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 119040093
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (CID 129332145) is (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is CCc1ncnc(N2CCO[C@H](c3nncn3CC)C2)c1F.
What is the InChIKey of (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is KKYXTIJWHPDNGN-NSHDSACASA-N. The full InChI is InChI=1S/C14H19FN6O/c1-3-10-12(15)14(17-8-16-10)21-5-6-22-11(7-21)13-19-18-9-20(13)4-2/h8-9,11H,3-7H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 306.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129332145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).