tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate

C18H24N6O5 — CID 129269674

About tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate (PubChem CID 129269674) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate
• PubChem CID: 129269674
• Molecular Formula: C18H24N6O5
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.18
• IUPAC Name: tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate
• SMILES: Cn1c(N)c(NC(=O)[C@@H](Cc2cccnc2)NC(=O)OC(C)(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C18H24N6O5/c1-18(2,3)29-17(28)21-11(8-10-6-5-7-20-9-10)14(25)22-12-13(19)24(4)16(27)23-15(12)26/h5-7,9,11H,8,19H2,1-4H3,(H,21,28)(H,22,25)(H,23,26,27)/t11-/m1/s1
• InChIKey: RGPYHAQHQVGPJE-LLVKDONJSA-N
• XLogP: 0.13
• TPSA: 161.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate (CID 129269674) is tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate is Cn1c(N)c(NC(=O)[C@@H](Cc2cccnc2)NC(=O)OC(C)(C)C)c(=O)[nH]c1=O.

What is the InChIKey of tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate?

The InChIKey is RGPYHAQHQVGPJE-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24N6O5/c1-18(2,3)29-17(28)21-11(8-10-6-5-7-20-9-10)14(25)22-12-13(19)24(4)16(27)23-15(12)26/h5-7,9,11H,8,19H2,1-4H3,(H,21,28)(H,22,25)(H,23,26,27)/t11-/m1/s1.

What are the key properties of tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate?

tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate has a molecular weight of 404.43 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate is sourced from PubChem (CID 129269674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).