4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]

C12H16FN3O — CID 172576442

IUPAC4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
SMILESCCOc1nc(F)nc2c1CN(C)C1(CC1)C2
InChIInChI=1S/C12H16FN3O/c1-3-17-10-8-7-16(2)12(4-5-12)6-9(8)14-11(13)15-10/h3-7H2,1-2H3
InChIKeySOYNIQQEEYTJST-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.53
Rot. Bonds2

About 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]

4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] (PubChem CID 172576442) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane].

Molecular Properties

Compound Name4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
PubChem CID172576442
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
SMILESCCOc1nc(F)nc2c1CN(C)C1(CC1)C2
InChIInChI=1S/C12H16FN3O/c1-3-17-10-8-7-16(2)12(4-5-12)6-9(8)14-11(13)15-10/h3-7H2,1-2H3
InChIKeySOYNIQQEEYTJST-UHFFFAOYSA-N
XLogP1.53
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]?
The IUPAC name of 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] (CID 172576442) is 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane].
What is the SMILES notation for 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]?
The canonical SMILES for 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] is CCOc1nc(F)nc2c1CN(C)C1(CC1)C2.
What is the InChIKey of 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]?
The InChIKey is SOYNIQQEEYTJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-3-17-10-8-7-16(2)12(4-5-12)6-9(8)14-11(13)15-10/h3-7H2,1-2H3.
What are the key properties of 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]?
4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] has a molecular weight of 237.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] is sourced from PubChem (CID 172576442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).