4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C14H13F3N4O — CID 57495316

IUPAC4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CN(c1cncc(C(F)(F)F)c1)CC2
InChIInChI=1S/C14H13F3N4O/c1-22-13-11-7-21(3-2-12(11)19-8-20-13)10-4-9(5-18-6-10)14(15,16)17/h4-6,8H,2-3,7H2,1H3
InChIKeyVXHXRHZMWRPWSU-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.46
Rot. Bonds2

About 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 57495316) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID57495316
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CN(c1cncc(C(F)(F)F)c1)CC2
InChIInChI=1S/C14H13F3N4O/c1-22-13-11-7-21(3-2-12(11)19-8-20-13)10-4-9(5-18-6-10)14(15,16)17/h4-6,8H,2-3,7H2,1H3
InChIKeyVXHXRHZMWRPWSU-UHFFFAOYSA-N
XLogP2.46
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 57495316) is 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ncnc2c1CN(c1cncc(C(F)(F)F)c1)CC2.
What is the InChIKey of 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VXHXRHZMWRPWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-22-13-11-7-21(3-2-12(11)19-8-20-13)10-4-9(5-18-6-10)14(15,16)17/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 310.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 57495316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).