(2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone

C16H20N4O2 — CID 155879645

IUPAC(2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone
SMILESCc1ncc(C(=O)N2CCC3CC32C(=O)N2CCCC2)cn1
InChIInChI=1S/C16H20N4O2/c1-11-17-9-12(10-18-11)14(21)20-7-4-13-8-16(13,20)15(22)19-5-2-3-6-19/h9-10,13H,2-8H2,1H3
InChIKeyLLFHOQZMBFBNHH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.01
Rot. Bonds2

About (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone

(2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone (PubChem CID 155879645) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone
PubChem CID155879645
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone
SMILESCc1ncc(C(=O)N2CCC3CC32C(=O)N2CCCC2)cn1
InChIInChI=1S/C16H20N4O2/c1-11-17-9-12(10-18-11)14(21)20-7-4-13-8-16(13,20)15(22)19-5-2-3-6-19/h9-10,13H,2-8H2,1H3
InChIKeyLLFHOQZMBFBNHH-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
[4a-hydroxy-7-(2-methylpyrimidine-5-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclopentylmethanone
CID 156607214
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97123436
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
CID 163402880
CID 163402880
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900797
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone?
The IUPAC name of (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone (CID 155879645) is (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone is Cc1ncc(C(=O)N2CCC3CC32C(=O)N2CCCC2)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone?
The InChIKey is LLFHOQZMBFBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-17-9-12(10-18-11)14(21)20-7-4-13-8-16(13,20)15(22)19-5-2-3-6-19/h9-10,13H,2-8H2,1H3.
What are the key properties of (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone?
(2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone is sourced from PubChem (CID 155879645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).