7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide

C16H21FN6O — CID 160575000

IUPAC7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide
SMILESCNC(=O)CCCCCCN(c1cnccn1)c1ncncc1F
InChIInChI=1S/C16H21FN6O/c1-18-15(24)6-4-2-3-5-9-23(14-11-19-7-8-21-14)16-13(17)10-20-12-22-16/h7-8,10-12H,2-6,9H2,1H3,(H,18,24)
InChIKeyOVDQMBIPJXISLF-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.24
Rot. Bonds9

About 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide

7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide (PubChem CID 160575000) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide.

Molecular Properties

Compound Name7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide
PubChem CID160575000
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide
SMILESCNC(=O)CCCCCCN(c1cnccn1)c1ncncc1F
InChIInChI=1S/C16H21FN6O/c1-18-15(24)6-4-2-3-5-9-23(14-11-19-7-8-21-14)16-13(17)10-20-12-22-16/h7-8,10-12H,2-6,9H2,1H3,(H,18,24)
InChIKeyOVDQMBIPJXISLF-UHFFFAOYSA-N
XLogP2.24
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide?
The IUPAC name of 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide (CID 160575000) is 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide.
What is the SMILES notation for 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide?
The canonical SMILES for 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide is CNC(=O)CCCCCCN(c1cnccn1)c1ncncc1F.
What is the InChIKey of 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide?
The InChIKey is OVDQMBIPJXISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-18-15(24)6-4-2-3-5-9-23(14-11-19-7-8-21-14)16-13(17)10-20-12-22-16/h7-8,10-12H,2-6,9H2,1H3,(H,18,24).
What are the key properties of 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide?
7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide has a molecular weight of 332.38 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoropyrimidin-4-yl)-pyrazin-2-ylamino]-N-methylheptanamide is sourced from PubChem (CID 160575000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).