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

C14H22N4O2 — CID 136850992

IUPACN-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(c(=O)[nH]1)CN(CC(=O)NC(C)(C)C)CC2
InChIInChI=1S/C14H22N4O2/c1-9-15-11-5-6-18(7-10(11)13(20)16-9)8-12(19)17-14(2,3)4/h5-8H2,1-4H3,(H,17,19)(H,15,16,20)
InChIKeyYKNJRKGEAYDKPH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.35
Rot. Bonds2

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

N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 136850992) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID136850992
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(c(=O)[nH]1)CN(CC(=O)NC(C)(C)C)CC2
InChIInChI=1S/C14H22N4O2/c1-9-15-11-5-6-18(7-10(11)13(20)16-9)8-12(19)17-14(2,3)4/h5-8H2,1-4H3,(H,17,19)(H,15,16,20)
InChIKeyYKNJRKGEAYDKPH-UHFFFAOYSA-N
XLogP0.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (CID 136850992) is N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is Cc1nc2c(c(=O)[nH]1)CN(CC(=O)NC(C)(C)C)CC2.
What is the InChIKey of N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is YKNJRKGEAYDKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-15-11-5-6-18(7-10(11)13(20)16-9)8-12(19)17-14(2,3)4/h5-8H2,1-4H3,(H,17,19)(H,15,16,20).
What are the key properties of N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 136850992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).