tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate

C16H25ClN4O2 — CID 133400808

IUPACtert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCCc1nc(Cl)c(C)c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H25ClN4O2/c1-6-12-19-13(17)10(2)14(20-12)21-8-7-11(9-21)18-15(22)23-16(3,4)5/h11H,6-9H2,1-5H3,(H,18,22)/t11-/m1/s1
InChIKeyIQGLCVHXAAPTOJ-LLVKDONJSA-N
MW340.86 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate (PubChem CID 133400808) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
PubChem CID133400808
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Nametert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCCc1nc(Cl)c(C)c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H25ClN4O2/c1-6-12-19-13(17)10(2)14(20-12)21-8-7-11(9-21)18-15(22)23-16(3,4)5/h11H,6-9H2,1-5H3,(H,18,22)/t11-/m1/s1
InChIKeyIQGLCVHXAAPTOJ-LLVKDONJSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(3R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]carbamate
CID 171553486
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[(3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133472766
tert-butyl N-[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 71634263
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
tert-butyl N-[(3S)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 171108310
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133320499
tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 164950783
tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 125461656
tert-butyl N-[1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-yl]carbamate
CID 122613808

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate (CID 133400808) is tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate is CCc1nc(Cl)c(C)c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is IQGLCVHXAAPTOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-6-12-19-13(17)10(2)14(20-12)21-8-7-11(9-21)18-15(22)23-16(3,4)5/h11H,6-9H2,1-5H3,(H,18,22)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 340.86 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 133400808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).