2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide

C16H19FN4O2 — CID 133416657

IUPAC2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
SMILESCCC(C)C(Nc1nccc(Oc2ccc(F)cc2)n1)C(N)=O
InChIInChI=1S/C16H19FN4O2/c1-3-10(2)14(15(18)22)21-16-19-9-8-13(20-16)23-12-6-4-11(17)5-7-12/h4-10,14H,3H2,1-2H3,(H2,18,22)(H,19,20,21)
InChIKeyQARACJYJASRNPM-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.72
Rot. Bonds7

About 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide

2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide (PubChem CID 133416657) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
PubChem CID133416657
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
SMILESCCC(C)C(Nc1nccc(Oc2ccc(F)cc2)n1)C(N)=O
InChIInChI=1S/C16H19FN4O2/c1-3-10(2)14(15(18)22)21-16-19-9-8-13(20-16)23-12-6-4-11(17)5-7-12/h4-10,14H,3H2,1-2H3,(H2,18,22)(H,19,20,21)
InChIKeyQARACJYJASRNPM-UHFFFAOYSA-N
XLogP2.72
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide (CID 133416657) is 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide is CCC(C)C(Nc1nccc(Oc2ccc(F)cc2)n1)C(N)=O.
What is the InChIKey of 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide?
The InChIKey is QARACJYJASRNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-3-10(2)14(15(18)22)21-16-19-9-8-13(20-16)23-12-6-4-11(17)5-7-12/h4-10,14H,3H2,1-2H3,(H2,18,22)(H,19,20,21).
What are the key properties of 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide?
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide has a molecular weight of 318.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide is sourced from PubChem (CID 133416657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).