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

C14H17N3O — CID 114738958

IUPAC2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)c1nc(-c2ccoc2)nc2c1CNCC2
InChIInChI=1S/C14H17N3O/c1-9(2)13-11-7-15-5-3-12(11)16-14(17-13)10-4-6-18-8-10/h4,6,8-9,15H,3,5,7H2,1-2H3
InChIKeyPFXLWBBEJPOBBX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds2

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

2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738958) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738958
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)c1nc(-c2ccoc2)nc2c1CNCC2
InChIInChI=1S/C14H17N3O/c1-9(2)13-11-7-15-5-3-12(11)16-14(17-13)10-4-6-18-8-10/h4,6,8-9,15H,3,5,7H2,1-2H3
InChIKeyPFXLWBBEJPOBBX-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83847207
2-(3,5-dimethyl-2-pyridinyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739004
2-(3,4-dichlorophenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742925
2-(1-ethoxybutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738899
2-(4-fluoro-3-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742912
2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300943
2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742883
3-(furan-3-yl)-5-propan-2-yl-1H-1,2,4-triazole
CID 61351300
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
2-(ethoxymethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738982
4-methyl-2-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739024
2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742866

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738958) is 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC(C)c1nc(-c2ccoc2)nc2c1CNCC2.
What is the InChIKey of 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is PFXLWBBEJPOBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)13-11-7-15-5-3-12(11)16-14(17-13)10-4-6-18-8-10/h4,6,8-9,15H,3,5,7H2,1-2H3.
What are the key properties of 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).