(4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine

C15H21FN6O — CID 129331525

IUPAC(4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
SMILESCc1nc(CN(C)[C@@H]2CCCN(c3ncc(F)cn3)CC2)no1
InChIInChI=1S/C15H21FN6O/c1-11-19-14(20-23-11)10-21(2)13-4-3-6-22(7-5-13)15-17-8-12(16)9-18-15/h8-9,13H,3-7,10H2,1-2H3/t13-/m1/s1
InChIKeyCFHFJBAOHLLRRV-CYBMUJFWSA-N
MW320.37 g/mol
LogP1.80
Rot. Bonds4

About (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine

(4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine (PubChem CID 129331525) has the molecular formula C15H21FN6O and a molecular weight of 320.37 g/mol. Its IUPAC name is (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine.

Molecular Properties

Compound Name(4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
PubChem CID129331525
Molecular FormulaC15H21FN6O
Molecular Weight320.37 g/mol
Exact Mass320.18
IUPAC Name(4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
SMILESCc1nc(CN(C)[C@@H]2CCCN(c3ncc(F)cn3)CC2)no1
InChIInChI=1S/C15H21FN6O/c1-11-19-14(20-23-11)10-21(2)13-4-3-6-22(7-5-13)15-17-8-12(16)9-18-15/h8-9,13H,3-7,10H2,1-2H3/t13-/m1/s1
InChIKeyCFHFJBAOHLLRRV-CYBMUJFWSA-N
XLogP1.80
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 128998640
1-(2-amino-2-methylpropyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 120857603
1-[(4S)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-pyridin-3-yloxyethanone
CID 129335291
(4S)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129336107
(4S)-1-(cyclopropylmethylsulfonyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 124728800
[(4S)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 129336443
1-[(4R)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129339996
1-[(4S)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129339995
1-[(4R)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(4-methylphenyl)ethanone
CID 129343921
(4S)-1-(1H-indazol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129344375
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-propan-2-yltriazol-4-yl)methyl]azepan-4-amine
CID 167765636
3,4-dihydro-2H-pyran-5-yl-[(4S)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]methanone
CID 129343315

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine?
The IUPAC name of (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine (CID 129331525) is (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine.
What is the SMILES notation for (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine?
The canonical SMILES for (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine is Cc1nc(CN(C)[C@@H]2CCCN(c3ncc(F)cn3)CC2)no1.
What is the InChIKey of (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine?
The InChIKey is CFHFJBAOHLLRRV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21FN6O/c1-11-19-14(20-23-11)10-21(2)13-4-3-6-22(7-5-13)15-17-8-12(16)9-18-15/h8-9,13H,3-7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine?
(4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine has a molecular weight of 320.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(5-fluoropyrimidin-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine is sourced from PubChem (CID 129331525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).