4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one

C17H20N6O — CID 167021763

IUPAC4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2cnc(N)c3cnc(NC(C)(C)C)nc23)cc1=O
InChIInChI=1S/C17H20N6O/c1-17(2,3)22-16-20-9-12-14(21-16)11(8-19-15(12)18)10-5-6-23(4)13(24)7-10/h5-9H,1-4H3,(H2,18,19)(H,20,21,22)
InChIKeyFKTJFCNRZRPBOR-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.18
Rot. Bonds2

About 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one

4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one (PubChem CID 167021763) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one
PubChem CID167021763
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2cnc(N)c3cnc(NC(C)(C)C)nc23)cc1=O
InChIInChI=1S/C17H20N6O/c1-17(2,3)22-16-20-9-12-14(21-16)11(8-19-15(12)18)10-5-6-23(4)13(24)7-10/h5-9H,1-4H3,(H2,18,19)(H,20,21,22)
InChIKeyFKTJFCNRZRPBOR-UHFFFAOYSA-N
XLogP2.18
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one (CID 167021763) is 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one is Cn1ccc(-c2cnc(N)c3cnc(NC(C)(C)C)nc23)cc1=O.
What is the InChIKey of 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one?
The InChIKey is FKTJFCNRZRPBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(2,3)22-16-20-9-12-14(21-16)11(8-19-15(12)18)10-5-6-23(4)13(24)7-10/h5-9H,1-4H3,(H2,18,19)(H,20,21,22).
What are the key properties of 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one?
4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one has a molecular weight of 324.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 167021763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).