tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate

C15H24N4O3 — CID 135865883

IUPACtert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
SMILESCc1nc2c(c(=O)[nH]1)CCN(CCNC(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H24N4O3/c1-10-17-12-9-19(7-5-11(12)13(20)18-10)8-6-16-14(21)22-15(2,3)4/h5-9H2,1-4H3,(H,16,21)(H,17,18,20)
InChIKeyFTSVGJAJSCOGOR-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.96
Rot. Bonds3

About tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate

tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate (PubChem CID 135865883) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
PubChem CID135865883
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
SMILESCc1nc2c(c(=O)[nH]1)CCN(CCNC(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H24N4O3/c1-10-17-12-9-19(7-5-11(12)13(20)18-10)8-6-16-14(21)22-15(2,3)4/h5-9H2,1-4H3,(H,16,21)(H,17,18,20)
InChIKeyFTSVGJAJSCOGOR-UHFFFAOYSA-N
XLogP0.96
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate (CID 135865883) is tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate is Cc1nc2c(c(=O)[nH]1)CCN(CCNC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate?
The InChIKey is FTSVGJAJSCOGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-17-12-9-19(7-5-11(12)13(20)18-10)8-6-16-14(21)22-15(2,3)4/h5-9H2,1-4H3,(H,16,21)(H,17,18,20).
What are the key properties of tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate?
tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate is sourced from PubChem (CID 135865883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).