4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C19H18FN5O4 — CID 135934966

IUPAC4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12
InChIInChI=1S/C19H18FN5O4/c1-21-12-9-13(18(27)28)22-16-14(10-3-2-4-11(20)17(10)26)23-19(24-15(12)16)25-5-7-29-8-6-25/h2-4,9,26H,5-8H2,1H3,(H,21,22)(H,27,28)
InChIKeyPSAXTLIIVKPDCJ-UHFFFAOYSA-N
MW399.38 g/mol
LogP2.11
Rot. Bonds4

About 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 135934966) has the molecular formula C19H18FN5O4 and a molecular weight of 399.38 g/mol. Its IUPAC name is 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID135934966
Molecular FormulaC19H18FN5O4
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12
InChIInChI=1S/C19H18FN5O4/c1-21-12-9-13(18(27)28)22-16-14(10-3-2-4-11(20)17(10)26)23-19(24-15(12)16)25-5-7-29-8-6-25/h2-4,9,26H,5-8H2,1H3,(H,21,22)(H,27,28)
InChIKeyPSAXTLIIVKPDCJ-UHFFFAOYSA-N
XLogP2.11
TPSA120.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 135934966) is 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is CNc1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is PSAXTLIIVKPDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O4/c1-21-12-9-13(18(27)28)22-16-14(10-3-2-4-11(20)17(10)26)23-19(24-15(12)16)25-5-7-29-8-6-25/h2-4,9,26H,5-8H2,1H3,(H,21,22)(H,27,28).
What are the key properties of 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 399.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 135934966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).