7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine

C18H21FN6S — CID 69022022

IUPAC7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCN1C(N)=Nc2nc(-c3c(F)cccc3N3CCSCC3)ccc2C1N
InChIInChI=1S/C18H21FN6S/c1-24-16(20)11-5-6-13(22-17(11)23-18(24)21)15-12(19)3-2-4-14(15)25-7-9-26-10-8-25/h2-6,16H,7-10,20H2,1H3,(H2,21,22,23)
InChIKeyUGBLHSSCAZQEBE-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.29
Rot. Bonds2

About 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine

7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 69022022) has the molecular formula C18H21FN6S and a molecular weight of 372.47 g/mol. Its IUPAC name is 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID69022022
Molecular FormulaC18H21FN6S
Molecular Weight372.47 g/mol
Exact Mass372.15
IUPAC Name7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCN1C(N)=Nc2nc(-c3c(F)cccc3N3CCSCC3)ccc2C1N
InChIInChI=1S/C18H21FN6S/c1-24-16(20)11-5-6-13(22-17(11)23-18(24)21)15-12(19)3-2-4-14(15)25-7-9-26-10-8-25/h2-6,16H,7-10,20H2,1H3,(H2,21,22,23)
InChIKeyUGBLHSSCAZQEBE-UHFFFAOYSA-N
XLogP2.29
TPSA83.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine (CID 69022022) is 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine is CN1C(N)=Nc2nc(-c3c(F)cccc3N3CCSCC3)ccc2C1N.
What is the InChIKey of 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is UGBLHSSCAZQEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6S/c1-24-16(20)11-5-6-13(22-17(11)23-18(24)21)15-12(19)3-2-4-14(15)25-7-9-26-10-8-25/h2-6,16H,7-10,20H2,1H3,(H2,21,22,23).
What are the key properties of 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 372.47 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 69022022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).