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

C19H30N4O3 — CID 135920216

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

tert-butyl N-[1-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate (PubChem CID 135920216) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate
• PubChem CID: 135920216
• Molecular Formula: C19H30N4O3
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.23
• IUPAC Name: tert-butyl N-[1-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate
• SMILES: CC(CN1CCc2c(nc(CC3CC3)[nH]c2=O)C1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C19H30N4O3/c1-12(20-18(25)26-19(2,3)4)10-23-8-7-14-15(11-23)21-16(22-17(14)24)9-13-5-6-13/h12-13H,5-11H2,1-4H3,(H,20,25)(H,21,22,24)
• InChIKey: KGQCEFTXIVNJRQ-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
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-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate (CID 135920216) is tert-butyl N-[1-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate.

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

The canonical SMILES for tert-butyl N-[1-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate is CC(CN1CCc2c(nc(CC3CC3)[nH]c2=O)C1)NC(=O)OC(C)(C)C.

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

The InChIKey is KGQCEFTXIVNJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-12(20-18(25)26-19(2,3)4)10-23-8-7-14-15(11-23)21-16(22-17(14)24)9-13-5-6-13/h12-13H,5-11H2,1-4H3,(H,20,25)(H,21,22,24).

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

tert-butyl N-[1-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate has a molecular weight of 362.47 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-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate is sourced from PubChem (CID 135920216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).