(2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine

C15H23F2N5O2 — CID 124626397

IUPAC(2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine
SMILESCOc1nc(N2CCCCCC2)nc(N2CCO[C@H](C(F)F)C2)n1
InChIInChI=1S/C15H23F2N5O2/c1-23-15-19-13(21-6-4-2-3-5-7-21)18-14(20-15)22-8-9-24-11(10-22)12(16)17/h11-12H,2-10H2,1H3/t11-/m0/s1
InChIKeySFUQKKMPUINGBL-NSHDSACASA-N
MW343.38 g/mol
LogP1.73
Rot. Bonds4

About (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine

(2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine (PubChem CID 124626397) has the molecular formula C15H23F2N5O2 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine
PubChem CID124626397
Molecular FormulaC15H23F2N5O2
Molecular Weight343.38 g/mol
Exact Mass343.18
IUPAC Name(2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine
SMILESCOc1nc(N2CCCCCC2)nc(N2CCO[C@H](C(F)F)C2)n1
InChIInChI=1S/C15H23F2N5O2/c1-23-15-19-13(21-6-4-2-3-5-7-21)18-14(20-15)22-8-9-24-11(10-22)12(16)17/h11-12H,2-10H2,1H3/t11-/m0/s1
InChIKeySFUQKKMPUINGBL-NSHDSACASA-N
XLogP1.73
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine?
The IUPAC name of (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine (CID 124626397) is (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine?
The canonical SMILES for (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine is COc1nc(N2CCCCCC2)nc(N2CCO[C@H](C(F)F)C2)n1.
What is the InChIKey of (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine?
The InChIKey is SFUQKKMPUINGBL-NSHDSACASA-N. The full InChI is InChI=1S/C15H23F2N5O2/c1-23-15-19-13(21-6-4-2-3-5-7-21)18-14(20-15)22-8-9-24-11(10-22)12(16)17/h11-12H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine?
(2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine has a molecular weight of 343.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine is sourced from PubChem (CID 124626397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).