tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate

C19H22ClN3O2 — CID 150535280

IUPACtert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(c2cc(Cl)ncn2)Cc2ccccc21
InChIInChI=1S/C19H22ClN3O2/c1-19(2,3)25-18(24)23-16-9-13(15-10-17(20)22-11-21-15)8-12-6-4-5-7-14(12)16/h4-7,10-11,13,16H,8-9H2,1-3H3,(H,23,24)
InChIKeyIESAOKVJTJIZCC-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.43
Rot. Bonds2

About tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate

tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate (PubChem CID 150535280) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
PubChem CID150535280
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Nametert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(c2cc(Cl)ncn2)Cc2ccccc21
InChIInChI=1S/C19H22ClN3O2/c1-19(2,3)25-18(24)23-16-9-13(15-10-17(20)22-11-21-15)8-12-6-4-5-7-14(12)16/h4-7,10-11,13,16H,8-9H2,1-3H3,(H,23,24)
InChIKeyIESAOKVJTJIZCC-UHFFFAOYSA-N
XLogP4.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
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tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
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tert-butyl N-[(1R)-6-(2-carbonochloridoylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
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tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
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tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
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tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
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tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate (CID 150535280) is tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate is CC(C)(C)OC(=O)NC1CC(c2cc(Cl)ncn2)Cc2ccccc21.
What is the InChIKey of tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The InChIKey is IESAOKVJTJIZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-19(2,3)25-18(24)23-16-9-13(15-10-17(20)22-11-21-15)8-12-6-4-5-7-14(12)16/h4-7,10-11,13,16H,8-9H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate has a molecular weight of 359.86 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-chloropyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate is sourced from PubChem (CID 150535280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).