2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]

C13H18FN3O — CID 172576503

IUPAC2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
SMILESCC(C)Oc1nc(F)nc2c1CN(C)C1(CC1)C2
InChIInChI=1S/C13H18FN3O/c1-8(2)18-11-9-7-17(3)13(4-5-13)6-10(9)15-12(14)16-11/h8H,4-7H2,1-3H3
InChIKeySFWLDNGAWBPLGZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.92
Rot. Bonds2

About 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]

2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] (PubChem CID 172576503) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane].

Molecular Properties

Compound Name2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
PubChem CID172576503
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
SMILESCC(C)Oc1nc(F)nc2c1CN(C)C1(CC1)C2
InChIInChI=1S/C13H18FN3O/c1-8(2)18-11-9-7-17(3)13(4-5-13)6-10(9)15-12(14)16-11/h8H,4-7H2,1-3H3
InChIKeySFWLDNGAWBPLGZ-UHFFFAOYSA-N
XLogP1.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]?
The IUPAC name of 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] (CID 172576503) is 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane].
What is the SMILES notation for 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]?
The canonical SMILES for 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] is CC(C)Oc1nc(F)nc2c1CN(C)C1(CC1)C2.
What is the InChIKey of 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]?
The InChIKey is SFWLDNGAWBPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-8(2)18-11-9-7-17(3)13(4-5-13)6-10(9)15-12(14)16-11/h8H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]?
2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] has a molecular weight of 251.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane] is sourced from PubChem (CID 172576503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).