methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate

C17H21N3O3 — CID 86895729

IUPACmethyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate
SMILESCCc1ncc2c(n1)CN(Cc1cc(C)c(C(=O)OC)o1)CC2
InChIInChI=1S/C17H21N3O3/c1-4-15-18-8-12-5-6-20(10-14(12)19-15)9-13-7-11(2)16(23-13)17(21)22-3/h7-8H,4-6,9-10H2,1-3H3
InChIKeyMSJCUIRTGWNVAP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.29
Rot. Bonds4

About methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate

methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate (PubChem CID 86895729) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate
PubChem CID86895729
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate
SMILESCCc1ncc2c(n1)CN(Cc1cc(C)c(C(=O)OC)o1)CC2
InChIInChI=1S/C17H21N3O3/c1-4-15-18-8-12-5-6-20(10-14(12)19-15)9-13-7-11(2)16(23-13)17(21)22-3/h7-8H,4-6,9-10H2,1-3H3
InChIKeyMSJCUIRTGWNVAP-UHFFFAOYSA-N
XLogP2.29
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate (CID 86895729) is methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate is CCc1ncc2c(n1)CN(Cc1cc(C)c(C(=O)OC)o1)CC2.
What is the InChIKey of methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate?
The InChIKey is MSJCUIRTGWNVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-15-18-8-12-5-6-20(10-14(12)19-15)9-13-7-11(2)16(23-13)17(21)22-3/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate?
methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 86895729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).