(2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine

C14H22FN3O — CID 164642275

IUPAC(2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine
SMILESCC(C)(C)c1cc(N2CCO[C@@H](CCF)C2)ncn1
InChIInChI=1S/C14H22FN3O/c1-14(2,3)12-8-13(17-10-16-12)18-6-7-19-11(9-18)4-5-15/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyRJRVQRBEKVXPSH-NSHDSACASA-N
MW267.35 g/mol
LogP2.34
Rot. Bonds3

About (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine

(2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine (PubChem CID 164642275) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine
PubChem CID164642275
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name(2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine
SMILESCC(C)(C)c1cc(N2CCO[C@@H](CCF)C2)ncn1
InChIInChI=1S/C14H22FN3O/c1-14(2,3)12-8-13(17-10-16-12)18-6-7-19-11(9-18)4-5-15/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyRJRVQRBEKVXPSH-NSHDSACASA-N
XLogP2.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine?
The IUPAC name of (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine (CID 164642275) is (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine.
What is the SMILES notation for (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine?
The canonical SMILES for (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine is CC(C)(C)c1cc(N2CCO[C@@H](CCF)C2)ncn1.
What is the InChIKey of (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine?
The InChIKey is RJRVQRBEKVXPSH-NSHDSACASA-N. The full InChI is InChI=1S/C14H22FN3O/c1-14(2,3)12-8-13(17-10-16-12)18-6-7-19-11(9-18)4-5-15/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine?
(2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine has a molecular weight of 267.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine is sourced from PubChem (CID 164642275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).