tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate

C13H18ClN3O2 — CID 154776228

IUPACtert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)c1ccnc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-13(2,3)19-12(18)17(8-9-4-5-9)10-6-7-15-11(14)16-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyPHMIWSCLGDEXLY-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate

tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate (PubChem CID 154776228) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate
PubChem CID154776228
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Nametert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)c1ccnc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-13(2,3)19-12(18)17(8-9-4-5-9)10-6-7-15-11(14)16-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyPHMIWSCLGDEXLY-UHFFFAOYSA-N
XLogP3.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
CID 131735467
tert-butyl 4-[[(2-chloropyrimidin-4-yl)-methylamino]methyl]piperidine-1-carboxylate
CID 71647831
tert-butyl 4-[[(2-chloropyrimidin-4-yl)-(2,3-dihydro-1-benzofuran-5-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58702184
tert-butyl (3R)-3-[(2-chloropyrimidin-4-yl)-methylamino]pyrrolidine-1-carboxylate
CID 71646667
tert-butyl N-(2-chloropyrimidin-4-yl)-N-(3-iminoprop-1-en-2-yl)carbamate
CID 167297723
tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
CID 153425981
tert-butyl (3S)-3-[[(2-chloropyrimidin-4-yl)methyl-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97167669
tert-butyl (3S)-3-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 97172386
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl (3S)-3-[(2-chloropyrimidin-4-yl)methyl-methylamino]pyrrolidine-1-carboxylate
CID 71647476
tert-butyl 2-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 71631756
tert-butyl N-[(3R)-1-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-yl]-N-methylcarbamate
CID 97167031

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate?
The IUPAC name of tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate (CID 154776228) is tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate is CC(C)(C)OC(=O)N(CC1CC1)c1ccnc(Cl)n1.
What is the InChIKey of tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate?
The InChIKey is PHMIWSCLGDEXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-13(2,3)19-12(18)17(8-9-4-5-9)10-6-7-15-11(14)16-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate?
tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate has a molecular weight of 283.76 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chloropyrimidin-4-yl)-N-(cyclopropylmethyl)carbamate is sourced from PubChem (CID 154776228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).