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

C10H12ClF2N3O — CID 172576434

IUPAC2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1nc(Cl)nc2c1CN(C(F)F)CC2
InChIInChI=1S/C10H12ClF2N3O/c1-2-17-8-6-5-16(10(12)13)4-3-7(6)14-9(11)15-8/h10H,2-5H2,1H3
InChIKeyDBIZDTQAYYYRDJ-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.11
Rot. Bonds3

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

2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 172576434) has the molecular formula C10H12ClF2N3O and a molecular weight of 263.67 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID172576434
Molecular FormulaC10H12ClF2N3O
Molecular Weight263.67 g/mol
Exact Mass263.06
IUPAC Name2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1nc(Cl)nc2c1CN(C(F)F)CC2
InChIInChI=1S/C10H12ClF2N3O/c1-2-17-8-6-5-16(10(12)13)4-3-7(6)14-9(11)15-8/h10H,2-5H2,1H3
InChIKeyDBIZDTQAYYYRDJ-UHFFFAOYSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.11
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 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 172576434) is 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1nc(Cl)nc2c1CN(C(F)F)CC2.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DBIZDTQAYYYRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3O/c1-2-17-8-6-5-16(10(12)13)4-3-7(6)14-9(11)15-8/h10H,2-5H2,1H3.
What are the key properties of 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 263.67 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).