tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate

C18H29ClN4O2 — CID 133320736

IUPACtert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCCc1c(Cl)nc(C)nc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H29ClN4O2/c1-7-14-15(19)20-12(2)21-16(14)23-10-8-13(9-11-23)22(6)17(24)25-18(3,4)5/h13H,7-11H2,1-6H3
InChIKeyYFKJDZZCKFLORL-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.84
Rot. Bonds3

About tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 133320736) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
PubChem CID133320736
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Nametert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCCc1c(Cl)nc(C)nc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H29ClN4O2/c1-7-14-15(19)20-12(2)21-16(14)23-10-8-13(9-11-23)22(6)17(24)25-18(3,4)5/h13H,7-11H2,1-6H3
InChIKeyYFKJDZZCKFLORL-UHFFFAOYSA-N
XLogP3.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate (CID 133320736) is tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate is CCc1c(Cl)nc(C)nc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is YFKJDZZCKFLORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN4O2/c1-7-14-15(19)20-12(2)21-16(14)23-10-8-13(9-11-23)22(6)17(24)25-18(3,4)5/h13H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 368.91 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 133320736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).