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

C16H25N3O2 — CID 135674970

IUPAC2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCCc1nc2c(c(=O)[nH]1)CN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C16H25N3O2/c1-5-6-7-13-17-12-8-9-19(15(21)16(2,3)4)10-11(12)14(20)18-13/h5-10H2,1-4H3,(H,17,18,20)
InChIKeyBEUPHGOKPUWZRS-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.04
Rot. Bonds3

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

2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135674970) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135674970
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCCc1nc2c(c(=O)[nH]1)CN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C16H25N3O2/c1-5-6-7-13-17-12-8-9-19(15(21)16(2,3)4)10-11(12)14(20)18-13/h5-10H2,1-4H3,(H,17,18,20)
InChIKeyBEUPHGOKPUWZRS-UHFFFAOYSA-N
XLogP2.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135674970) is 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCCc1nc2c(c(=O)[nH]1)CN(C(=O)C(C)(C)C)CC2.
What is the InChIKey of 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BEUPHGOKPUWZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-6-7-13-17-12-8-9-19(15(21)16(2,3)4)10-11(12)14(20)18-13/h5-10H2,1-4H3,(H,17,18,20).
What are the key properties of 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 291.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(2,2-dimethylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135674970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).