2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C12H19N3O2 — CID 136965337

IUPAC2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CCCN2)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)9(17-3)11-14-10-8(12(16)15-11)5-4-6-13-10/h7,9H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyBSVURARAJSGUQH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.47
Rot. Bonds3

About 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136965337) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136965337
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CCCN2)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)9(17-3)11-14-10-8(12(16)15-11)5-4-6-13-10/h7,9H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyBSVURARAJSGUQH-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136965337) is 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is COC(c1nc2c(c(=O)[nH]1)CCCN2)C(C)C.
What is the InChIKey of 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is BSVURARAJSGUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)9(17-3)11-14-10-8(12(16)15-11)5-4-6-13-10/h7,9H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136965337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).