2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H25N3O — CID 135866145

IUPAC2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)CN1CCc2c(nc(C(C)(C)C)[nH]c2=O)C1
InChIInChI=1S/C15H25N3O/c1-10(2)8-18-7-6-11-12(9-18)16-14(15(3,4)5)17-13(11)19/h10H,6-9H2,1-5H3,(H,16,17,19)
InChIKeyWSHYSUAKDMXHGD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.08
Rot. Bonds2

About 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866145) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866145
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)CN1CCc2c(nc(C(C)(C)C)[nH]c2=O)C1
InChIInChI=1S/C15H25N3O/c1-10(2)8-18-7-6-11-12(9-18)16-14(15(3,4)5)17-13(11)19/h10H,6-9H2,1-5H3,(H,16,17,19)
InChIKeyWSHYSUAKDMXHGD-UHFFFAOYSA-N
XLogP2.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866145) is 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)CN1CCc2c(nc(C(C)(C)C)[nH]c2=O)C1.
What is the InChIKey of 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WSHYSUAKDMXHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)8-18-7-6-11-12(9-18)16-14(15(3,4)5)17-13(11)19/h10H,6-9H2,1-5H3,(H,16,17,19).
What are the key properties of 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(2-methylpropyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).