tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate

C16H25N5O2 — CID 154977656

IUPACtert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC2(C)Cc3c(N)ncnc3N2C1
InChIInChI=1S/C16H25N5O2/c1-15(2,3)23-14(22)20-10-5-6-16(4)7-11-12(17)18-9-19-13(11)21(16)8-10/h9-10H,5-8H2,1-4H3,(H,20,22)(H2,17,18,19)
InChIKeyWZCJTTQVWDAIPK-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.87
Rot. Bonds1

About tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate

tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate (PubChem CID 154977656) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate
PubChem CID154977656
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Nametert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC2(C)Cc3c(N)ncnc3N2C1
InChIInChI=1S/C16H25N5O2/c1-15(2,3)23-14(22)20-10-5-6-16(4)7-11-12(17)18-9-19-13(11)21(16)8-10/h9-10H,5-8H2,1-4H3,(H,20,22)(H2,17,18,19)
InChIKeyWZCJTTQVWDAIPK-UHFFFAOYSA-N
XLogP1.87
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate (CID 154977656) is tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate is CC(C)(C)OC(=O)NC1CCC2(C)Cc3c(N)ncnc3N2C1.
What is the InChIKey of tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate?
The InChIKey is WZCJTTQVWDAIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-15(2,3)23-14(22)20-10-5-6-16(4)7-11-12(17)18-9-19-13(11)21(16)8-10/h9-10H,5-8H2,1-4H3,(H,20,22)(H2,17,18,19).
What are the key properties of tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate?
tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate has a molecular weight of 319.41 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-5a-methyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indolizin-8-yl)carbamate is sourced from PubChem (CID 154977656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).