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

C16H26N4O3 — CID 135916447

IUPACtert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESCc1nc2c(c(=O)[nH]1)CN(CC(C)NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H26N4O3/c1-10(17-15(22)23-16(3,4)5)8-20-7-6-13-12(9-20)14(21)19-11(2)18-13/h10H,6-9H2,1-5H3,(H,17,22)(H,18,19,21)
InChIKeyOOFPOGOIGQVNBI-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.35
Rot. Bonds3

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

tert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (PubChem CID 135916447) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
PubChem CID135916447
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
SMILESCc1nc2c(c(=O)[nH]1)CN(CC(C)NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H26N4O3/c1-10(17-15(22)23-16(3,4)5)8-20-7-6-13-12(9-20)14(21)19-11(2)18-13/h10H,6-9H2,1-5H3,(H,17,22)(H,18,19,21)
InChIKeyOOFPOGOIGQVNBI-UHFFFAOYSA-N
XLogP1.35
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.35
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-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate (CID 135916447) is tert-butyl N-[1-(2-methyl-4-oxo-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-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is Cc1nc2c(c(=O)[nH]1)CN(CC(C)NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
The InChIKey is OOFPOGOIGQVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(17-15(22)23-16(3,4)5)8-20-7-6-13-12(9-20)14(21)19-11(2)18-13/h10H,6-9H2,1-5H3,(H,17,22)(H,18,19,21).
What are the key properties of tert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 1.35, 3 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-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate is sourced from PubChem (CID 135916447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).