7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C16H21N3O2 — CID 127971823

IUPAC7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCN(C(=O)C(C1CC1)C1CC1)C2
InChIInChI=1S/C16H21N3O2/c1-18-9-17-13-8-19(7-6-12(13)15(18)20)16(21)14(10-2-3-10)11-4-5-11/h9-11,14H,2-8H2,1H3
InChIKeyMQLASKOQQRXIRO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.10
Rot. Bonds3

About 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 127971823) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID127971823
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCN(C(=O)C(C1CC1)C1CC1)C2
InChIInChI=1S/C16H21N3O2/c1-18-9-17-13-8-19(7-6-12(13)15(18)20)16(21)14(10-2-3-10)11-4-5-11/h9-11,14H,2-8H2,1H3
InChIKeyMQLASKOQQRXIRO-UHFFFAOYSA-N
XLogP1.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 127971823) is 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cn1cnc2c(c1=O)CCN(C(=O)C(C1CC1)C1CC1)C2.
What is the InChIKey of 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is MQLASKOQQRXIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-9-17-13-8-19(7-6-12(13)15(18)20)16(21)14(10-2-3-10)11-4-5-11/h9-11,14H,2-8H2,1H3.
What are the key properties of 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dicyclopropylacetyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 127971823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).