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

C21H34N4O3 — CID 135916463

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

tert-butyl N-[1-(2-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (PubChem CID 135916463) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is tert-butyl N-[1-(2-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-(2-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
• PubChem CID: 135916463
• Molecular Formula: C21H34N4O3
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.26
• IUPAC Name: tert-butyl N-[1-(2-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
• SMILES: CC(CN1CCc2nc(C3CCCCC3)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C21H34N4O3/c1-14(22-20(27)28-21(2,3)4)12-25-11-10-17-16(13-25)19(26)24-18(23-17)15-8-6-5-7-9-15/h14-15H,5-13H2,1-4H3,(H,22,27)(H,23,24,26)
• InChIKey: DYAUHOOXWQPQGE-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-cyclohexyl-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-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (CID 135916463) is tert-butyl N-[1-(2-cyclohexyl-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-cyclohexyl-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-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is CC(CN1CCc2nc(C3CCCCC3)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C.

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

The InChIKey is DYAUHOOXWQPQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-14(22-20(27)28-21(2,3)4)12-25-11-10-17-16(13-25)19(26)24-18(23-17)15-8-6-5-7-9-15/h14-15H,5-13H2,1-4H3,(H,22,27)(H,23,24,26).

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

tert-butyl N-[1-(2-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate has a molecular weight of 390.53 g/mol, XLogP of 3.09, 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-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is sourced from PubChem (CID 135916463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).