tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate

C19H32N4O3 — CID 135916449

IUPACtert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESCC(CN1CCc2nc(C(C)(C)C)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N4O3/c1-12(20-17(25)26-19(5,6)7)10-23-9-8-14-13(11-23)15(24)22-16(21-14)18(2,3)4/h12H,8-11H2,1-7H3,(H,20,25)(H,21,22,24)
InChIKeyLJDYGLJOYKPYGB-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.34
Rot. Bonds3

About tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate

tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (PubChem CID 135916449) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
PubChem CID135916449
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Nametert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESCC(CN1CCc2nc(C(C)(C)C)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N4O3/c1-12(20-17(25)26-19(5,6)7)10-23-9-8-14-13(11-23)15(24)22-16(21-14)18(2,3)4/h12H,8-11H2,1-7H3,(H,20,25)(H,21,22,24)
InChIKeyLJDYGLJOYKPYGB-UHFFFAOYSA-N
XLogP2.34
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (CID 135916449) is tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is CC(CN1CCc2nc(C(C)(C)C)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The InChIKey is LJDYGLJOYKPYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-12(20-17(25)26-19(5,6)7)10-23-9-8-14-13(11-23)15(24)22-16(21-14)18(2,3)4/h12H,8-11H2,1-7H3,(H,20,25)(H,21,22,24).
What are the key properties of tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate has a molecular weight of 364.49 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is sourced from PubChem (CID 135916449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).