4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine

C19H10ClF3N4 — CID 25115687

IUPAC4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccc(F)cc2Cl)c2ccnc(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C19H10ClF3N4/c20-12-8-9(21)4-5-10(12)16-11-6-7-25-18(17(11)27-19(24)26-16)15-13(22)2-1-3-14(15)23/h1-8H,(H2,24,26,27)
InChIKeyIWDPQXCRGMBZDZ-UHFFFAOYSA-N
MW386.76 g/mol
LogP5.01
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine

4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 25115687) has the molecular formula C19H10ClF3N4 and a molecular weight of 386.76 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID25115687
Molecular FormulaC19H10ClF3N4
Molecular Weight386.76 g/mol
Exact Mass386.05
IUPAC Name4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccc(F)cc2Cl)c2ccnc(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C19H10ClF3N4/c20-12-8-9(21)4-5-10(12)16-11-6-7-25-18(17(11)27-19(24)26-16)15-13(22)2-1-3-14(15)23/h1-8H,(H2,24,26,27)
InChIKeyIWDPQXCRGMBZDZ-UHFFFAOYSA-N
XLogP5.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.76
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine (CID 25115687) is 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine is Nc1nc(-c2ccc(F)cc2Cl)c2ccnc(-c3c(F)cccc3F)c2n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is IWDPQXCRGMBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N4/c20-12-8-9(21)4-5-10(12)16-11-6-7-25-18(17(11)27-19(24)26-16)15-13(22)2-1-3-14(15)23/h1-8H,(H2,24,26,27).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine?
4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 386.76 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 25115687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).