4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C13H15N3O — CID 114737862

IUPAC4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2ccoc2C)nc2c1CNCC2
InChIInChI=1S/C13H15N3O/c1-8-11-7-14-5-3-12(11)16-13(15-8)10-4-6-17-9(10)2/h4,6,14H,3,5,7H2,1-2H3
InChIKeyNSKHNJXVIMNLDP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds1

About 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737862) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737862
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2ccoc2C)nc2c1CNCC2
InChIInChI=1S/C13H15N3O/c1-8-11-7-14-5-3-12(11)16-13(15-8)10-4-6-17-9(10)2/h4,6,14H,3,5,7H2,1-2H3
InChIKeyNSKHNJXVIMNLDP-UHFFFAOYSA-N
XLogP2.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737862) is 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1nc(-c2ccoc2C)nc2c1CNCC2.
What is the InChIKey of 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is NSKHNJXVIMNLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-11-7-14-5-3-12(11)16-13(15-8)10-4-6-17-9(10)2/h4,6,14H,3,5,7H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 229.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).