6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H25F2N5O2 — CID 122669939

IUPAC6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OCCC2CCOC2)c1
InChIInChI=1S/C24H25F2N5O2/c1-15-18-13-29-24(23-27-6-2-7-28-23)30-20(18)3-8-31(15)17-11-19(25)22(26)21(12-17)33-10-5-16-4-9-32-14-16/h2,6-7,11-13,15-16H,3-5,8-10,14H2,1H3
InChIKeyNDRUPKUTJOZGDR-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.14
Rot. Bonds6

About 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 122669939) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID122669939
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OCCC2CCOC2)c1
InChIInChI=1S/C24H25F2N5O2/c1-15-18-13-29-24(23-27-6-2-7-28-23)30-20(18)3-8-31(15)17-11-19(25)22(26)21(12-17)33-10-5-16-4-9-32-14-16/h2,6-7,11-13,15-16H,3-5,8-10,14H2,1H3
InChIKeyNDRUPKUTJOZGDR-UHFFFAOYSA-N
XLogP4.14
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 122669939) is 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OCCC2CCOC2)c1.
What is the InChIKey of 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NDRUPKUTJOZGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-15-18-13-29-24(23-27-6-2-7-28-23)30-20(18)3-8-31(15)17-11-19(25)22(26)21(12-17)33-10-5-16-4-9-32-14-16/h2,6-7,11-13,15-16H,3-5,8-10,14H2,1H3.
What are the key properties of 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 453.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122669939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).