6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C19H19FN4O3 — CID 23434573

IUPAC6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2cccc(F)c2)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C19H19FN4O3/c1-24-17-12(11-21-19(23-17)22-14-5-7-26-8-6-14)9-16(18(24)25)27-15-4-2-3-13(20)10-15/h2-4,9-11,14H,5-8H2,1H3,(H,21,22,23)
InChIKeyDTFPTUUNNFBXGC-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.85
Rot. Bonds4

About 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434573) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID23434573
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2cccc(F)c2)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C19H19FN4O3/c1-24-17-12(11-21-19(23-17)22-14-5-7-26-8-6-14)9-16(18(24)25)27-15-4-2-3-13(20)10-15/h2-4,9-11,14H,5-8H2,1H3,(H,21,22,23)
InChIKeyDTFPTUUNNFBXGC-UHFFFAOYSA-N
XLogP2.85
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 23434573) is 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2cccc(F)c2)cc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DTFPTUUNNFBXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-24-17-12(11-21-19(23-17)22-14-5-7-26-8-6-14)9-16(18(24)25)27-15-4-2-3-13(20)10-15/h2-4,9-11,14H,5-8H2,1H3,(H,21,22,23).
What are the key properties of 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 370.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).