ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate

C19H25N5O2 — CID 133317426

IUPACethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(c2nc(-c3cccnc3)nc(C)c2C)C1
InChIInChI=1S/C19H25N5O2/c1-4-26-19(25)22-16-8-6-10-24(12-16)18-13(2)14(3)21-17(23-18)15-7-5-9-20-11-15/h5,7,9,11,16H,4,6,8,10,12H2,1-3H3,(H,22,25)
InChIKeyHXBKVMLNZWNZMH-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.87
Rot. Bonds4

About ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate

ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate (PubChem CID 133317426) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
PubChem CID133317426
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Nameethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(c2nc(-c3cccnc3)nc(C)c2C)C1
InChIInChI=1S/C19H25N5O2/c1-4-26-19(25)22-16-8-6-10-24(12-16)18-13(2)14(3)21-17(23-18)15-7-5-9-20-11-15/h5,7,9,11,16H,4,6,8,10,12H2,1-3H3,(H,22,25)
InChIKeyHXBKVMLNZWNZMH-UHFFFAOYSA-N
XLogP2.87
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387241
ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate
CID 84593468
2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166225591
methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate
CID 133379732
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356454
2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349720
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133310277
(3aS,6aR)-2-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063296
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
ethyl N-[(3R)-1-(5-bromo-3-pyridinyl)piperidin-3-yl]carbamate
CID 97029184

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate (CID 133317426) is ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(c2nc(-c3cccnc3)nc(C)c2C)C1.
What is the InChIKey of ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate?
The InChIKey is HXBKVMLNZWNZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-26-19(25)22-16-8-6-10-24(12-16)18-13(2)14(3)21-17(23-18)15-7-5-9-20-11-15/h5,7,9,11,16H,4,6,8,10,12H2,1-3H3,(H,22,25).
What are the key properties of ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate?
ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 133317426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).