propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate

C15H23N3O2 — CID 90100261

IUPACpropan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
SMILESCc1nc(C)c(C(=O)OC(C)C)c(C2CCNCC2)n1
InChIInChI=1S/C15H23N3O2/c1-9(2)20-15(19)13-10(3)17-11(4)18-14(13)12-5-7-16-8-6-12/h9,12,16H,5-8H2,1-4H3
InChIKeyQWVBIYFKBPMACE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.13
Rot. Bonds3

About propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate

propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate (PubChem CID 90100261) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
PubChem CID90100261
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namepropan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
SMILESCc1nc(C)c(C(=O)OC(C)C)c(C2CCNCC2)n1
InChIInChI=1S/C15H23N3O2/c1-9(2)20-15(19)13-10(3)17-11(4)18-14(13)12-5-7-16-8-6-12/h9,12,16H,5-8H2,1-4H3
InChIKeyQWVBIYFKBPMACE-UHFFFAOYSA-N
XLogP2.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate (CID 90100261) is propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate is Cc1nc(C)c(C(=O)OC(C)C)c(C2CCNCC2)n1.
What is the InChIKey of propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The InChIKey is QWVBIYFKBPMACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)20-15(19)13-10(3)17-11(4)18-14(13)12-5-7-16-8-6-12/h9,12,16H,5-8H2,1-4H3.
What are the key properties of propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 90100261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).