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

C20H21FN4O2 — CID 23434654

IUPAC6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccccc2F)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C20H21FN4O2/c1-25-18-15(12-22-20(24-18)23-16-6-8-27-9-7-16)11-14(19(25)26)10-13-4-2-3-5-17(13)21/h2-5,11-12,16H,6-10H2,1H3,(H,22,23,24)
InChIKeyMEQQGUQIYFTMKE-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.65
Rot. Bonds4

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

6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434654) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID23434654
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccccc2F)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C20H21FN4O2/c1-25-18-15(12-22-20(24-18)23-16-6-8-27-9-7-16)11-14(19(25)26)10-13-4-2-3-5-17(13)21/h2-5,11-12,16H,6-10H2,1H3,(H,22,23,24)
InChIKeyMEQQGUQIYFTMKE-UHFFFAOYSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 23434654) is 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Cc2ccccc2F)cc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MEQQGUQIYFTMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-25-18-15(12-22-20(24-18)23-16-6-8-27-9-7-16)11-14(19(25)26)10-13-4-2-3-5-17(13)21/h2-5,11-12,16H,6-10H2,1H3,(H,22,23,24).
What are the key properties of 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 368.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).