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

C18H28N4O3 — CID 135916460

IUPACtert-butyl N-[1-(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESCC(CN1CCc2nc(C3CC3)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N4O3/c1-11(19-17(24)25-18(2,3)4)9-22-8-7-14-13(10-22)16(23)21-15(20-14)12-5-6-12/h11-12H,5-10H2,1-4H3,(H,19,24)(H,20,21,23)
InChIKeyFOJUVLDQGVWIAQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.92
Rot. Bonds4

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

tert-butyl N-[1-(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (PubChem CID 135916460) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl N-[1-(2-cyclopropyl-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-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
PubChem CID135916460
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nametert-butyl N-[1-(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESCC(CN1CCc2nc(C3CC3)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N4O3/c1-11(19-17(24)25-18(2,3)4)9-22-8-7-14-13(10-22)16(23)21-15(20-14)12-5-6-12/h11-12H,5-10H2,1-4H3,(H,19,24)(H,20,21,23)
InChIKeyFOJUVLDQGVWIAQ-UHFFFAOYSA-N
XLogP1.92
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-cyclopropyl-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-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (CID 135916460) is tert-butyl N-[1-(2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is CC(CN1CCc2nc(C3CC3)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The InChIKey is FOJUVLDQGVWIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-11(19-17(24)25-18(2,3)4)9-22-8-7-14-13(10-22)16(23)21-15(20-14)12-5-6-12/h11-12H,5-10H2,1-4H3,(H,19,24)(H,20,21,23).
What are the key properties of tert-butyl N-[1-(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate has a molecular weight of 348.45 g/mol, XLogP of 1.92, 4 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-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is sourced from PubChem (CID 135916460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).