2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C20H17ClF3N9 — CID 59762775

IUPAC2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccnc3nc(-c4ncncc4Cl)cnc23)ncc1C(F)(F)F
InChIInChI=1S/C20H17ClF3N9/c1-3-33(4-2)18-11(20(22,23)24)7-28-19(32-18)31-13-5-6-26-17-16(13)27-9-14(30-17)15-12(21)8-25-10-29-15/h5-10H,3-4H2,1-2H3,(H,26,28,30,31,32)
InChIKeyRPQBGPCUWQYIMF-UHFFFAOYSA-N
MW475.87 g/mol
LogP4.53
Rot. Bonds6

About 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 59762775) has the molecular formula C20H17ClF3N9 and a molecular weight of 475.87 g/mol. Its IUPAC name is 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID59762775
Molecular FormulaC20H17ClF3N9
Molecular Weight475.87 g/mol
Exact Mass475.12
IUPAC Name2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccnc3nc(-c4ncncc4Cl)cnc23)ncc1C(F)(F)F
InChIInChI=1S/C20H17ClF3N9/c1-3-33(4-2)18-11(20(22,23)24)7-28-19(32-18)31-13-5-6-26-17-16(13)27-9-14(30-17)15-12(21)8-25-10-29-15/h5-10H,3-4H2,1-2H3,(H,26,28,30,31,32)
InChIKeyRPQBGPCUWQYIMF-UHFFFAOYSA-N
XLogP4.53
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 59762775) is 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(CC)c1nc(Nc2ccnc3nc(-c4ncncc4Cl)cnc23)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RPQBGPCUWQYIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N9/c1-3-33(4-2)18-11(20(22,23)24)7-28-19(32-18)31-13-5-6-26-17-16(13)27-9-14(30-17)15-12(21)8-25-10-29-15/h5-10H,3-4H2,1-2H3,(H,26,28,30,31,32).
What are the key properties of 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 475.87 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(5-chloropyrimidin-4-yl)pyrido[2,3-b]pyrazin-8-yl]-4-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59762775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).