tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate

C17H24N4O4S — CID 166547376

IUPACtert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate
SMILESCC(C)c1cnc(N(C)C(=O)OC(C)(C)C)c2cnc(S(C)(=O)=O)nc12
InChIInChI=1S/C17H24N4O4S/c1-10(2)11-8-18-14(21(6)16(22)25-17(3,4)5)12-9-19-15(20-13(11)12)26(7,23)24/h8-10H,1-7H3
InChIKeyQYFVWEKFDOCJAI-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate

tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate (PubChem CID 166547376) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate
PubChem CID166547376
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Nametert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate
SMILESCC(C)c1cnc(N(C)C(=O)OC(C)(C)C)c2cnc(S(C)(=O)=O)nc12
InChIInChI=1S/C17H24N4O4S/c1-10(2)11-8-18-14(21(6)16(22)25-17(3,4)5)12-9-19-15(20-13(11)12)26(7,23)24/h8-10H,1-7H3
InChIKeyQYFVWEKFDOCJAI-UHFFFAOYSA-N
XLogP2.92
TPSA102.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate (CID 166547376) is tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate is CC(C)c1cnc(N(C)C(=O)OC(C)(C)C)c2cnc(S(C)(=O)=O)nc12.
What is the InChIKey of tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate?
The InChIKey is QYFVWEKFDOCJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-10(2)11-8-18-14(21(6)16(22)25-17(3,4)5)12-9-19-15(20-13(11)12)26(7,23)24/h8-10H,1-7H3.
What are the key properties of tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate?
tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate has a molecular weight of 380.47 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-methylsulfonyl-8-propan-2-ylpyrido[4,3-d]pyrimidin-5-yl)carbamate is sourced from PubChem (CID 166547376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).