tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate

C10H13Cl2N3O2 — CID 170897744

IUPACtert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H13Cl2N3O2/c1-10(2,3)17-9(16)13-5-6-4-7(11)15-8(12)14-6/h4H,5H2,1-3H3,(H,13,16)
InChIKeyMQLCTOZIRPLPBV-UHFFFAOYSA-N
MW278.14 g/mol
LogP2.81
Rot. Bonds2

About tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate

tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate (PubChem CID 170897744) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
PubChem CID170897744
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Nametert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H13Cl2N3O2/c1-10(2,3)17-9(16)13-5-6-4-7(11)15-8(12)14-6/h4H,5H2,1-3H3,(H,13,16)
InChIKeyMQLCTOZIRPLPBV-UHFFFAOYSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[(6-chloropyrido[3,2-c]pyridazin-3-yl)methyl]carbamate
CID 156818946
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[3-(2,4,6-trichloropyrimidin-5-yl)oxypropyl]carbamate
CID 176915180
tert-butyl N-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)methyl]carbamate
CID 83669608
tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
CID 23404363
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
CID 20610080
tert-butyl N-[[5-(aminomethyl)-6-methoxy-4-methyl-2-pyridinyl]methyl]carbamate
CID 67951653
tert-butyl N-[[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]carbamate
CID 171787096
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
CID 117274297

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate (CID 170897744) is tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(Cl)nc(Cl)n1.
What is the InChIKey of tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate?
The InChIKey is MQLCTOZIRPLPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-10(2,3)17-9(16)13-5-6-4-7(11)15-8(12)14-6/h4H,5H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate?
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate has a molecular weight of 278.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate is sourced from PubChem (CID 170897744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).