azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone

C14H22N4O — CID 20959486

IUPACazepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
SMILESCc1nc(N(C)C)ncc1C(=O)N1CCCCCC1
InChIInChI=1S/C14H22N4O/c1-11-12(10-15-14(16-11)17(2)3)13(19)18-8-6-4-5-7-9-18/h10H,4-9H2,1-3H3
InChIKeyYRJLMZHCVSNSPK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.87
Rot. Bonds2

About azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone

azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone (PubChem CID 20959486) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
PubChem CID20959486
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Nameazepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
SMILESCc1nc(N(C)C)ncc1C(=O)N1CCCCCC1
InChIInChI=1S/C14H22N4O/c1-11-12(10-15-14(16-11)17(2)3)13(19)18-8-6-4-5-7-9-18/h10H,4-9H2,1-3H3
InChIKeyYRJLMZHCVSNSPK-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone
CID 70720193
(3S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]-3-ethylpiperidine-3-carboxylic acid
CID 97126317
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70732353
(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid
CID 97271863
3-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 97205189
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
(3S,4S)-4-cyclopropyl-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 74238233
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 133122270
2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92594985
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97190483

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone?
The IUPAC name of azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone (CID 20959486) is azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone?
The canonical SMILES for azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone is Cc1nc(N(C)C)ncc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone?
The InChIKey is YRJLMZHCVSNSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-12(10-15-14(16-11)17(2)3)13(19)18-8-6-4-5-7-9-18/h10H,4-9H2,1-3H3.
What are the key properties of azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone?
azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone is sourced from PubChem (CID 20959486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).