2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one

C15H24N4O2 — CID 156533645

IUPAC2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(CCO1)C2=CC(=O)NC(=N2)N3CCCCCC3
InChIInChI=1S/C15H24N4O2/c1-12-11-19(8-9-21-12)13-10-14(20)17-15(16-13)18-6-4-2-3-5-7-18/h10,12H,2-9,11H2,1H3,(H,16,17,20)/t12-/m1/s1
InChIKeyFDWXVBXDZOGHCJ-GFCCVEGCSA-N
MW292.38 g/mol
LogP0.90
Rot. Bonds2

About 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one

2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 156533645) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID156533645
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(CCO1)C2=CC(=O)NC(=N2)N3CCCCCC3
InChIInChI=1S/C15H24N4O2/c1-12-11-19(8-9-21-12)13-10-14(20)17-15(16-13)18-6-4-2-3-5-7-18/h10,12H,2-9,11H2,1H3,(H,16,17,20)/t12-/m1/s1
InChIKeyFDWXVBXDZOGHCJ-GFCCVEGCSA-N
XLogP0.90
TPSA57.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity453

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-6-morpholinopyrimidin-4(3H)-one
CID 136188794
N-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 153863595
N-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
CID 153863600
2-(3-methylazepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156458241
4-[(2R)-2-methylmorpholin-4-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 156458354
2-amino-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 156458408
2-[(3R)-3-methylazepan-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156458620
4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 156533561
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one
CID 156533567
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one
CID 156533647
2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533660
2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136572861

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 156533645) is 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one is C[C@@H]1CN(CCO1)C2=CC(=O)NC(=N2)N3CCCCCC3.
What is the InChIKey of 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is FDWXVBXDZOGHCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-11-19(8-9-21-12)13-10-14(20)17-15(16-13)18-6-4-2-3-5-7-18/h10,12H,2-9,11H2,1H3,(H,16,17,20)/t12-/m1/s1.
What are the key properties of 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 292.38 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 156533645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).