2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C11H16FN3O — CID 172576417

IUPAC2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CCN(C)C2
InChIInChI=1S/C11H16FN3O/c1-7(2)16-10-8-4-5-15(3)6-9(8)13-11(12)14-10/h7H,4-6H2,1-3H3
InChIKeyMTIYDRZWALCGFL-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.39
Rot. Bonds2

About 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 172576417) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID172576417
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CCN(C)C2
InChIInChI=1S/C11H16FN3O/c1-7(2)16-10-8-4-5-15(3)6-9(8)13-11(12)14-10/h7H,4-6H2,1-3H3
InChIKeyMTIYDRZWALCGFL-UHFFFAOYSA-N
XLogP1.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 163223046
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;ethane
CID 163223212
4-Methoxy-2-(3,3,3-trifluoropropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 163223550
2-Fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576404
2-Fluoro-7-methyl-4-propan-2-yloxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 172576416
6-(difluoromethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576418
2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576434
4-Ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
CID 172576442
4-Ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576450
2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576465

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 172576417) is 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)Oc1nc(F)nc2c1CCN(C)C2.
What is the InChIKey of 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is MTIYDRZWALCGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7(2)16-10-8-4-5-15(3)6-9(8)13-11(12)14-10/h7H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 225.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 172576417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).