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

C11H14F3N3O — CID 172576564

IUPAC6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CN(C(F)F)CC2
InChIInChI=1S/C11H14F3N3O/c1-6(2)18-9-7-5-17(10(12)13)4-3-8(7)15-11(14)16-9/h6,10H,3-5H2,1-2H3
InChIKeyQITLJWSOVIXOIF-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.98
Rot. Bonds3

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

6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 172576564) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID172576564
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CN(C(F)F)CC2
InChIInChI=1S/C11H14F3N3O/c1-6(2)18-9-7-5-17(10(12)13)4-3-8(7)15-11(14)16-9/h6,10H,3-5H2,1-2H3
InChIKeyQITLJWSOVIXOIF-UHFFFAOYSA-N
XLogP1.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50988019
4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50989214
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
2-chloro-4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidinehydrochloride
CID 155820520
2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 102386112
4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
2-Cyclopropyl-7-methyl-4-(3,3,3-trifluoropropoxy)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 11709448
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 126482947
2-ethyl-4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219183
2-methyl-4-(4,4,4-trifluorobutoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219238

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 172576564) is 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)Oc1nc(F)nc2c1CN(C(F)F)CC2.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QITLJWSOVIXOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(2)18-9-7-5-17(10(12)13)4-3-8(7)15-11(14)16-9/h6,10H,3-5H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).