[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone

C19H25N3O — CID 56878787

IUPAC[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1
InChIInChI=1S/C19H25N3O/c1-11-15(8-20-18(21-11)14-6-7-14)19(23)22-9-16-12-2-3-13(5-4-12)17(16)10-22/h8,12-14,16-17H,2-7,9-10H2,1H3/t12?,13?,16-,17+
InChIKeyHYASJLRXHSPMIJ-QDIASNEPSA-N
MW311.43 g/mol
LogP3.17
Rot. Bonds2

About [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone

[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone (PubChem CID 56878787) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
PubChem CID56878787
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1
InChIInChI=1S/C19H25N3O/c1-11-15(8-20-18(21-11)14-6-7-14)19(23)22-9-16-12-2-3-13(5-4-12)17(16)10-22/h8,12-14,16-17H,2-7,9-10H2,1H3/t12?,13?,16-,17+
InChIKeyHYASJLRXHSPMIJ-QDIASNEPSA-N
XLogP3.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74235155
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 133122270
(3S,4S)-4-cyclopropyl-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 74238233
[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636049
(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
(3S,4S)-4-cyclopropyl-1-(4-methyl-2-piperidin-1-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72869164
[(4aS,8aS)-4a-hydroxy-7-propan-2-yl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 72864267
(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone
CID 136547615
[4-methyl-2-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 95806769
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304
2-methoxy-1-[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110248077

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone (CID 56878787) is [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone is Cc1nc(C2CC2)ncc1C(=O)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1.
What is the InChIKey of [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone?
The InChIKey is HYASJLRXHSPMIJ-QDIASNEPSA-N. The full InChI is InChI=1S/C19H25N3O/c1-11-15(8-20-18(21-11)14-6-7-14)19(23)22-9-16-12-2-3-13(5-4-12)17(16)10-22/h8,12-14,16-17H,2-7,9-10H2,1H3/t12?,13?,16-,17+.
What are the key properties of [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone?
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56878787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).