6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one

C18H25N3O3 — CID 53209401

IUPAC6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N1CCCCC1C
InChIInChI=1S/C18H25N3O3/c1-11(2)9-20-10-19-16-15(17(20)22)14(13(4)24-16)18(23)21-8-6-5-7-12(21)3/h10-12H,5-9H2,1-4H3
InChIKeyOZOLBQCACRQPPM-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.97
Rot. Bonds3

About 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one

6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one (PubChem CID 53209401) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one
PubChem CID53209401
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N1CCCCC1C
InChIInChI=1S/C18H25N3O3/c1-11(2)9-20-10-19-16-15(17(20)22)14(13(4)24-16)18(23)21-8-6-5-7-12(21)3/h10-12H,5-9H2,1-4H3
InChIKeyOZOLBQCACRQPPM-UHFFFAOYSA-N
XLogP2.97
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one (CID 53209401) is 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one is Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N1CCCCC1C.
What is the InChIKey of 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one?
The InChIKey is OZOLBQCACRQPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(2)9-20-10-19-16-15(17(20)22)14(13(4)24-16)18(23)21-8-6-5-7-12(21)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one?
6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one has a molecular weight of 331.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53209401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).