6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H16F3N5O — CID 121455967

IUPAC6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ncccn4)ncc3C2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O/c1-28-15-8-13(19(20,21)22)7-14(9-15)27-6-3-16-12(11-27)10-25-18(26-16)17-23-4-2-5-24-17/h2,4-5,7-10H,3,6,11H2,1H3
InChIKeyYBAZOTLVRVYZMZ-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.52
Rot. Bonds3

About 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455967) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455967
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ncccn4)ncc3C2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O/c1-28-15-8-13(19(20,21)22)7-14(9-15)27-6-3-16-12(11-27)10-25-18(26-16)17-23-4-2-5-24-17/h2,4-5,7-10H,3,6,11H2,1H3
InChIKeyYBAZOTLVRVYZMZ-UHFFFAOYSA-N
XLogP3.52
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455967) is 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(N2CCc3nc(-c4ncccn4)ncc3C2)cc(C(F)(F)F)c1.
What is the InChIKey of 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YBAZOTLVRVYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-28-15-8-13(19(20,21)22)7-14(9-15)27-6-3-16-12(11-27)10-25-18(26-16)17-23-4-2-5-24-17/h2,4-5,7-10H,3,6,11H2,1H3.
What are the key properties of 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 387.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).