6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C10H13F2N3O — CID 172576478

IUPAC6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(C)nc2c1CN(C(F)F)CC2
InChIInChI=1S/C10H13F2N3O/c1-6-13-8-3-4-15(10(11)12)5-7(8)9(14-6)16-2/h10H,3-5H2,1-2H3
InChIKeyMRRUWFHEQKOGJN-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.37
Rot. Bonds2

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

6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 172576478) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID172576478
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc(C)nc2c1CN(C(F)F)CC2
InChIInChI=1S/C10H13F2N3O/c1-6-13-8-3-4-15(10(11)12)5-7(8)9(14-6)16-2/h10H,3-5H2,1-2H3
InChIKeyMRRUWFHEQKOGJN-UHFFFAOYSA-N
XLogP1.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 172576478) is 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1nc(C)nc2c1CN(C(F)F)CC2.
What is the InChIKey of 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MRRUWFHEQKOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-6-13-8-3-4-15(10(11)12)5-7(8)9(14-6)16-2/h10H,3-5H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 229.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).