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

C18H30N4O3 — CID 135916448

IUPACtert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESCC(CN1CCc2nc(C(C)C)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N4O3/c1-11(2)15-20-14-7-8-22(10-13(14)16(23)21-15)9-12(3)19-17(24)25-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,24)(H,20,21,23)
InChIKeyGELBSLILJYAWCU-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.16
Rot. Bonds4

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

tert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (PubChem CID 135916448) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
PubChem CID135916448
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Nametert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESCC(CN1CCc2nc(C(C)C)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N4O3/c1-11(2)15-20-14-7-8-22(10-13(14)16(23)21-15)9-12(3)19-17(24)25-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,24)(H,20,21,23)
InChIKeyGELBSLILJYAWCU-UHFFFAOYSA-N
XLogP2.16
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (CID 135916448) is tert-butyl N-[1-(4-oxo-2-propan-2-yl-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-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is CC(CN1CCc2nc(C(C)C)[nH]c(=O)c2C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The InChIKey is GELBSLILJYAWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-11(2)15-20-14-7-8-22(10-13(14)16(23)21-15)9-12(3)19-17(24)25-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,24)(H,20,21,23).
What are the key properties of tert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 2.16, 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-(4-oxo-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is sourced from PubChem (CID 135916448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).