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

C18H30N4O3 — CID 135916456

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

tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (PubChem CID 135916456) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
• PubChem CID: 135916456
• Molecular Formula: C18H30N4O3
• Molecular Weight: 350.46 g/mol
• Exact Mass: 350.23
• IUPAC Name: tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
• SMILES: CCCc1nc2c(c(=O)[nH]1)CN(CC(C)NC(=O)OC(C)(C)C)CC2
• InChI: InChI=1S/C18H30N4O3/c1-6-7-15-20-14-8-9-22(11-13(14)16(23)21-15)10-12(2)19-17(24)25-18(3,4)5/h12H,6-11H2,1-5H3,(H,19,24)(H,20,21,23)
• InChIKey: ZALNVDPTBMBPMP-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.46
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (CID 135916456) is tert-butyl N-[1-(4-oxo-2-propyl-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-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is CCCc1nc2c(c(=O)[nH]1)CN(CC(C)NC(=O)OC(C)(C)C)CC2.

What is the InChIKey of tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?

The InChIKey is ZALNVDPTBMBPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-6-7-15-20-14-8-9-22(11-13(14)16(23)21-15)10-12(2)19-17(24)25-18(3,4)5/h12H,6-11H2,1-5H3,(H,19,24)(H,20,21,23).

What are the key properties of tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?

tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is sourced from PubChem (CID 135916456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).