tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate

C12H18N4O3 — CID 135741617

IUPACtert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-5-4-8-7(6-16)9(17)15-10(13)14-8/h4-6H2,1-3H3,(H3,13,14,15,17)
InChIKeyBNNJUQHXJUNHCU-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.65
Rot. Bonds

About tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate

tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate (PubChem CID 135741617) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
PubChem CID135741617
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nametert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-5-4-8-7(6-16)9(17)15-10(13)14-8/h4-6H2,1-3H3,(H3,13,14,15,17)
InChIKeyBNNJUQHXJUNHCU-UHFFFAOYSA-N
XLogP0.65
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate (CID 135741617) is tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2nc(N)[nH]c(=O)c2C1.
What is the InChIKey of tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate?
The InChIKey is BNNJUQHXJUNHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-5-4-8-7(6-16)9(17)15-10(13)14-8/h4-6H2,1-3H3,(H3,13,14,15,17).
What are the key properties of tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate?
tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 135741617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).