2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine

C21H23F2N5O3 — CID 139396210

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine
SMILESCOc1cc(OC)c(F)c(-c2nc(N3CC(C)OC(C)C3)c3cc(N)ncc3n2)c1F
InChIInChI=1S/C21H23F2N5O3/c1-10-8-28(9-11(2)31-10)21-12-5-16(24)25-7-13(12)26-20(27-21)17-18(22)14(29-3)6-15(30-4)19(17)23/h5-7,10-11H,8-9H2,1-4H3,(H2,24,25)
InChIKeyHNDHYVJYDMGELU-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.18
Rot. Bonds4

About 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine

2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine (PubChem CID 139396210) has the molecular formula C21H23F2N5O3 and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine
PubChem CID139396210
Molecular FormulaC21H23F2N5O3
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine
SMILESCOc1cc(OC)c(F)c(-c2nc(N3CC(C)OC(C)C3)c3cc(N)ncc3n2)c1F
InChIInChI=1S/C21H23F2N5O3/c1-10-8-28(9-11(2)31-10)21-12-5-16(24)25-7-13(12)26-20(27-21)17-18(22)14(29-3)6-15(30-4)19(17)23/h5-7,10-11H,8-9H2,1-4H3,(H2,24,25)
InChIKeyHNDHYVJYDMGELU-UHFFFAOYSA-N
XLogP3.18
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine (CID 139396210) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine is COc1cc(OC)c(F)c(-c2nc(N3CC(C)OC(C)C3)c3cc(N)ncc3n2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine?
The InChIKey is HNDHYVJYDMGELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O3/c1-10-8-28(9-11(2)31-10)21-12-5-16(24)25-7-13(12)26-20(27-21)17-18(22)14(29-3)6-15(30-4)19(17)23/h5-7,10-11H,8-9H2,1-4H3,(H2,24,25).
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine has a molecular weight of 431.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 139396210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).