7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C18H19FN6O — CID 15983223

IUPAC7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(F)cccc3N3CCOCC3)ccc12
InChIInChI=1S/C18H19FN6O/c1-21-16-11-5-6-13(22-17(11)24-18(20)23-16)15-12(19)3-2-4-14(15)25-7-9-26-10-8-25/h2-6H,7-10H2,1H3,(H3,20,21,22,23,24)
InChIKeyXVAQVUDHYGDXDU-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.29
Rot. Bonds3

About 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15983223) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15983223
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(F)cccc3N3CCOCC3)ccc12
InChIInChI=1S/C18H19FN6O/c1-21-16-11-5-6-13(22-17(11)24-18(20)23-16)15-12(19)3-2-4-14(15)25-7-9-26-10-8-25/h2-6H,7-10H2,1H3,(H3,20,21,22,23,24)
InChIKeyXVAQVUDHYGDXDU-UHFFFAOYSA-N
XLogP2.29
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
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-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 15983223) is 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3c(F)cccc3N3CCOCC3)ccc12.
What is the InChIKey of 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XVAQVUDHYGDXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-21-16-11-5-6-13(22-17(11)24-18(20)23-16)15-12(19)3-2-4-14(15)25-7-9-26-10-8-25/h2-6H,7-10H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 354.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15983223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).